0000	List of Publications by Giovanni Ciccotti Updated 23 AUGUST 2021
501	2021
500
499	227) DD.Girardier, A.Coretti, G.Ciccotti, and S.Bonella “Mass-Zero constrained dynamics and statistics for the shell model in magnetic field” European Physical Journal B, 94, e158, (2021)
498
497	226) D.Macuglia, B.Roux, and G.Ciccotti “The breakthrough of a quantum chemist by classical dynamics: Martin Karplus and the birth of computer simulations of chemical reactions” European Physical Journal H, 46, ? , (2021)
496
495	225) C.Templeton, R.Elber, M.Ferrario, and G.Ciccotti “A new boundary driven NEMD scheme for heat and particle diffusion in binary mixtures” Molecular Physics, ? , e1892849, (2021)
494
493	224) G.Ciccotti, and L.Rondoni “Jarzynski on work and free energy relations: The case of variable volume” AICHE Journal 67, e17082, (2021)
492
491	2020
490
489	223) F.Talotta, F.Agostini, and G.Ciccotti “Quantum Trajectories for the Dynamics in the Exact Factorization Framework: A Proof-of-Principle Test” Journal of Physical Chemistry A, 124, 6764, (2020)
488
487	222) A.Coretti, L.Scalfi, C.Bacon, B.Rotenberg, R.Vuilleumier, G.Ciccotti, M.Salanne, and S.Bonella “Mass-zero constrained molecular dynamics for electrode charges in simulations of electrochemical systems” J.Chem.Phys. 152, 194701, (2020)
486
485	221) D.Macuglia, B.Roux, and G.Ciccotti “Sense Experiences and “Necessary Simulations”: Four Centuries of Scientific Change from Galileo to Fundamental Computer Simulations” KNOW: A Journal on the Formation of Knowledge 4, 63-87, (2020)
484
483	220) S.Bonella, A.Coretti, R.Vuilleumier, and G.Ciccotti “Adiabatic motion and statistical mechanics via mass zero constrained dynamics” PCCP, 22, 10775-10785, (2020)
482
481	2019
480
479	219) ASF.Oliveira, CJ.Edsall, CJ.Woods, P.Bates, G.Viedma Nunez, S.Wonnacott, I.Bermudez, G.Ciccotti, T.Gallagher, RB.Sessions, and AJ.Mulholland “A general mechanism for signal propagation in the nicotinic acetylcholine receptor family” JACS, 141, 19953-19958, (2019)
478
477	218) G.Gobbo, G.Ciccotti, and BL.Trout “On computing the solubility of molecular systems subject to constraints using the extended Einstein crystal method” J.Chem.Phys. 150 (20), 201104, (2019)
476
475	217) MA.Bellucci, G.Gobbo, TK.Wijethunga, G.Ciccotti, and BL.Trout “Solubility of paracetamol in ethanol by molecular dynamics using the extended Einstein crystal method and experiments” J.Chem.Phys. 150, 094107, (2019)
474
473	216) M.Lauricella, L.Chiodo, G.Ciccotti, and A.Albinati “Ab initio accelerated molecular dynamics study of the hydride ligands in the ruthenium complex: Ru (H 2) 2 H 2 (P (C 5 H 9) 3) 2” PCCP 21, 25247-25257, (2019)
472
471	215) G.Ciccotti, and L.Delle Site “The physics of open systems for the simulation of complex molecular environments in soft matter” Soft Matter 15, 2114-2124, (2019)
470
469	2018
468
467	214) A.Coretti, S.Bonella, and G.Ciccotti “Communication: Constrained molecular dynamics for polarizable models” J.Chem.Phys. 149, 191102, (2018)
466
465	213) A.Coretti, S.Bonella, L.Rondoni, and G.Ciccotti “Time reversal and symmetries of time correlation functions” Mol.Phys. 116, 3097-3103, (2018)
464
463	212) G.Battimelli, and G.Ciccotti “Berni Alder and the pioneering times of molecular simulation” EPJ H 43, 303-335, (2018)
462
461	211) F.Agostini, I.Tavernelli, and G.Ciccotti “Nuclear quantum effects in electronic (non) adiabatic dynamics” EPJ B 91, 139, (2018)
460
459	210) G.Ciccotti, M.Ferrario, and C.Schütte “Molecular Dynamics vs. Stochastic Processes: Are We Heading Anywhere?” Entropy 20, 348, (2018)
458
457	209) A.Perilli, C.Pierleoni, G.Ciccotti, and JP.Ryckaert “On the force–velocity relationship of a bundle of rigid bio-filaments” J.Chem.Phys. 148, 095101, (2018)
456
455	208) G.Ciccotti, and M.Ferrario “Holonomic Constraints: A Case for Statistical Mechanics of Non-Hamiltonian Systems” Computation 6, 11, (2018)
454
453	207) G.Gobbo, MA.Bellucci, GA.Tribello, G.Ciccotti, and BL.Trout “Nucleation of molecular crystals driven by relative information entropy” J.Chem.Th.Comp. 14, 959-972, (2018)
452
451	2017
450
449	206) M.Lauricella, G.Ciccotti, NJ.English, B.Peters, and S.Meloni “Mechanisms and nucleation rate of methane hydrate by dynamical nonequilibrium molecular dynamics” J.Phys.Chem. C 121, 24223-24234, (2017)
448
447	205) S.Bonella, M.Ferrario, and G.Ciccotti “Thermal diffusion in binary mixtures: Transient behavior and transport coefficients from equilibrium and nonequilibrium molecular dynamics” Langmuir 33, 11281-1129, (2017)
446
445	204) L.Delle Site, G.Ciccotti, and C.Hartmann “Partitioning a macroscopic system into independent subsystems” J.Stat.Mech. Theory and Experiment 2017, 083201, (2017)
444
443	203) S.Bonella, A.Coretti, L.Rondoni, and G.Ciccotti  “Time-reversal symmetry for systems in a constant external magnetic field” Phys.Rev.E, 96, 012160, (2017)
442
441	2016
440
439	202) P.Koltai, G.Ciccotti, and C.Schuette “On metastability and Markov state models for non-stationary molecular dynamics” J.Chem.Phys., 145, 174103, (2016)
438
437	201) M.Ferrario, S.Bonella, and G.Ciccotti “On the establishment of thermal diffusion in binary Lennard-Jones liquids” EPJ-Special Topics, 225, 1629-1642, (2016)
436
435	200) T.A.Hunt, S.Mogurampelly, G.Ciccotti, C.Pierleoni, and J.P.Ryckaert “Particle-based modeling of living actin filaments in an optical trap” Polymers, 8, 343, (2016)
434
433	199) A.Perilli, C.Pierleoni, G.Ciccotti, and J.P.Ryckaert “On the properties of a bundle of flexible actin filaments in an optical trap” J.Chem.Phys., 144, 245102, (2016)
432
431	198) G.Ciccotti, S.Bonella, M.Ferrario, and C.Pierleoni “Probabilistic derivation of spatiotemporal correlation functions in the hydrodynamic limit” J.Phys.Chem.B, 120, 1996-2000, (2016)
430
429	197) R.E.Breier, R.L.B.Selinger, G.Ciccotti, S.Herminghaus, and M.G.Mazza “Spontaneous chiral symmetry breaking in collective active motion” Phys.Rev.E, 93, 022410, (2016)
428
427	196) G.Ciccotti, and M.Ferrario “Non-equilibrium by molecular dynamics: a dynamical approach”  Mol.Sim., 42, 1385-1400, (2016)
426
425	2015
424
423	195) C.Pierleoni, G.Ciccotti, and J.P.Ryckaert “A semi-flexible model prediction for the polymerization force exerted by a living F-actin filament on a fixed wall” J.Chem.Phys., 143, 145101, (2015)
422
421	194) J.Beutier, R.Vuilleumier, S.Bonella, and G.Ciccotti “Gas phase infrared spectra from quasi-classical Kubo time correlation functions” Mol.Phys., 113, 2894-2904, (2015)
420
419	193) S.Bonella, and G.Ciccotti “An introduction to the problem of bridging quantum and classical dynamics” EPJ-Special Topics, 224, 2305-2320, (2015)
418
417	192) S.Meloni, and G.Ciccotti “Free energies for rare events: temperature accelerated MD and MC” EPJ-Special Topics, 224, 2389-2407, (2015)
416
415	191) G.Ciccotti, and E.Vanden-Eijnden “The trees and the forest” EPJ-Special Topics, 224, 2515-2518, (2015)
414
413	190) F.Agostini, G.Ciccotti, A.Savin, and R.Vuilleumier “Maximum probability domains for the analysis of the microscopic structure of liquids” J.Chem.Phys., 142, 064117, (2015)
412
411	189) L.Chiodo, T.Malliavin, L.Maragliano, G.Cottone, and G.Ciccotti “A structural model of the human alpha 7 nicotinic receptor in an open conformation” PLOS ONE, 10, e0133011, (2015) DOI: 10.137/journal.pone.013301
410
409	188) M.Lauricella, S.Meloni, S.Liang, NJ.English, PG.Kusalik, and G.Ciccotti “Clathrate structure-type recognition: application to hydrate nucleation and crystallisation” J.Chem.Phys., 142, 244503, (2015) DOI: 10.1063/1.4922696
408
407	2014
406
405	187) S.Bonella, G.Ciccotti, and L.Rondoni “Time reversal symmetry in time-dependent correlation functions for systems in a magnetic field” EPL, 108, 60004 (2014) DOI: 10.1209/0295-5075/108/60004
404
403	186) M.Pourali, S.Meloni, F.Magaletti, A.Maghari, C.M.Casciola, and G.Ciccotti “Relaxation of a steep density gradient in a simple fluid: comparison between atomistic and continuum modeling” J.Chem.Phys., 141, 154107 (2014) DOI: 10.1063/1.4897977
402
401	185) M.Lauricella, S.Meloni, N.English, P.Barons, and G.Ciccotti “Methane clathrate hydrate nucleation mechanism by advanced molecular simulations” J.Phys.Chem.C, 118, 22847-22857 (2014) DOI: 10.1021/jp5052479
400
399	184) E.Selva, T.Huynh, G.Ciccotti, L.Maragliano, and T.E.Malliavin “Temperature-accelerated molecular dynamics gives insights into globular conformations sampled in the free state of the AC catalytic domain” Proteins, 82, 2483-2496 (2014) DOI: 10.1002/prot.24612
398
397	183) H.Wang, C.Schuette, G.Ciccotti, and L.Delle Site, “Exploring the conformational dynamics of alanine dipeptide in solution subjected to an external electric field: a nonequilibrium molecular dynamics simulation” JCTC, 10, 1376-1386 (2014) DOI: 10.1021/ct400993e
396
395	182) S.Bonella, D.Raimondo, E.Milanetti, A.Tramontano, and G.Ciccotti  “Mapping the hydropathy of amino acids based on their local solvation structure” J.Phys.Chem.B, 118, 6604-6613 (2014) DOI: 10.1021/jp500980x
394
393	181) F.Gentile, M.Monteferrante, L.Chiodo, A.Toma. M.L.Coluccio, G.Ciccotti, and E.Di Fabrizio “Electroless formation of silver nanoaggregates: an experimantal and molecular dynamics approach” Mol.Phys., 112, 1375-1388 (2014) DOI: 10.1080/00268976.2014.902518
392
391	180) Z.Mohammad Hosseini Naveh, T.E.Malliavin, L.Maragliano, G.Cottone, and G.Ciccotti “Conformational changes in acetylcholine binding protein investigated by temperature accelerated molecular dynamics” PLOS ONE, 9, e88555 (2014) DOI: 10.1371/journal.pone.0088555
390
389	179) G.Ciccotti, and M.Ferrario  “Dynamical non-equilibrium molecular dynamics”  Entropy, 16, 233-257 (2014) DOI: 10.3390/e16010233
388
387	178) S.Bonella, and G.Ciccotti  “Approximating time-dependent quantum statistical properties”  Entropy, 16, 86-109 (2014) DOI:10.3390/e16010086
386
385	177) J.Beutier, S.Bonella, R.Vuilleumier, and G.Ciccotti  “Gas phase infrared spectra via the phase integration quasi-classical method”  Mol.Sim., 40, 196-207 (2014) DOI: 10.1080/08927022.2013.843776
384
383	2013
382
381	176) M.Monteferrante, S.Bonella, and G.Ciccotti  “Quantum dynamical structure factor of liquid neon via a quasiclassical symmetrized method”  J.Chem.Phys. 138, 054118 (2013) DOI: 10.1063/1.4789760
380
379	175) J.Lucid, S.Meloni, D.Mac Kernan, E.Spohr, and G.Ciccotti “Probing the structures of hydrated nafion in different morphologies using temperature-accelerated molecular dynamics simulations”  J.Chem.Phys. 117, 774-782 (2013) DOI: 10.1021/jp309038n
378
377	174) P.A.Geslin, G.Ciccotti, and S.Meloni “An observable for vacancy characterisation and diffusion in crystals” J.Chem.Phys. 138, 144103 (2013) DOI: 10.1063/1.4796322
376
375	173) A.Elena, S.Meloni, and G.Ciccotti “Equilibrium and rate constants, and reaction mechanism of the HF dissociation in the HF(H2O)7 cluster by ab initio rare event simulations” J.Phys.Chem. A, 117, 13039-13050 (2013) DOI: dx.doi.org/10.1021/jp406982h
374
373	2012
372
371	172) A.Poma, M.Monteferrante, S.Bonella, and G.Ciccotti “The quantum free energy barrier for hydrogen vacancy diffusion in Na3AlH6” PCCP, 14, 15458-15463 (2012) DOI: 10.1039/c2cp42536j1
370
369	171) S.Bonella, S.Meloni, and G.Ciccotti “Theory and methods for rare events” EPJ B, 85, 97 (2012) DOI: 10.1140/epjb/e2012-20366-2
368
367	170) W.I.Babiaczyk, S.Bonella, G.Ciccotti, M.L.Coluccio, F.Gentile, and E.Di Fabrizio “Silver self aggregation in a nanodevice for enhanced Raman spectroscopy: experiments vs simplified modeling via molecular dynamics” Nanoscale, 4, 2362-2371 (2012) DOI: 10.1039/c2nr30145h
366
365	169) G.Cottone, G.Lattanzi, G.Ciccotti, and R.Elber “Multiphoton absorption of myoglobin nitric oxide complex: relaxation by D-NEMD of a stationary state”   J.Phys.Chem. B, 116, 3397-3410 (2012) DOI: 10.1021/jp212148x
364
363	168) S.Fritsch, S.Poblete, C.Junghans, G.Ciccotti, L.Delle Site, and K.Kremer “Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir” Phys.Rev.Lett. 108, 170602 (2012) DOI: 10.1103/PhysRevLett.108.170602
362
361	2011
360
359	167) M.Monteferrante, S.Bonella, and G.Ciccotti “Linearized symmetrized quantum time correlation functions calculation via phase preaveraging” Mol.Phys., 109, 3015-3027 (2011)
358
357	166-B) C.Hartmann, J.C.Latorre, and G.Ciccotti “On two possible definitions of the free energy for collective variables” EPJ-Special Topics, 200, 73-89 (2011)
356
355	165-B) P.Español, J.A.de la Torre, M.Ferrario, and G.Ciccotti “Coarse-graining stiff bonds” EPJ-Special Topics, 200, 107-129 (2011)
354
353	164-B) S.Orlandini, S.Meloni, and G.Ciccotti “Hydrodynamics from dynamical non-equilibrium MD”   In: “Non-Equilibriun Statistical Physics Today - Proceedings of the 11th Granada Seminar on Computational and Statistical Physics” P.L.Garrido, J.Marro, and F.de los Santos, Eds. AIP, Conferences Proceedings 1332, Melville, New York, 2011
352
351	163) S.Meloni, S.Orlandini, and G.Ciccotti “Combining rare events techniques: phase change in Si nanoparticles” J.Stat.Phys., 145, 812-830 (2011)
350
349	162) S.Orlandini, S.Meloni, and G.Ciccotti “Hydrodynamics from statistical mechanics: combined dynamical-NEMD and conditional sampling to relax an interface between two immiscible liquids”   PCCP, 13, 13177 (2011)
348
347	161) M.Monteferrante, S.Bonella, and G.Ciccotti  “Short range hydrogen diffusion in Na_3AlH_6”  PCCP, 13, 10546 (2011)
346
345	160) F.Agostini, G.Ciccotti, and R.Vuilleumier  “Infrared spectroscopy of small protonated water clusters at room temperature: an effective modes analysis”  J.Chem.Phys., 134, 084303 (2011)
344
343	159) F.Agostini, R.Vuilleumier, and G.Ciccotti “Infrared spectroscopy and effective modes analysis of the protonated water dimer H+ (H2O)2 at room temperature under H/D substitution” J.Chem.Phys., 134, 084302 (2011)
342
341	158) G.Ciccotti, and S.Meloni  “Temperature Accelerated Monte Carlo (TAMC): a method for sampling the free energy surface of non-analytical collective coordinates” CPPC, 13, 5952 (2011)
340
339	157) A.Jezierska-Mazzarello, J.Panek, R.Vuilleumier, A.Koll, and G.Ciccotti “Direct observation of the substitution effects on the hydrogen bridge dynamics in selected Schiff bases - A comparative molecular dynamics study”  J.Chem.Phys., 134, 034308 (2011)
338
337	2010
336
335	156) W.I.Babiaczyk, S.Bonella, L.Guidoni, and G.Ciccotti  “Hydration structure of the quaternary ammonium cations”  J.Phys.Chem.B, 114, 15018-15028 (2010)
334
333	155) S.Bonella, M.Monteferrante, C.Pierleoni, and G.Ciccotti “Path integral based calculations of symmetrized time correlation functions, II” J.Chem.Phys., 133, 164105 (2010)
332
331	154) S.Bonella, M.Monteferrante, C.Pierleoni, and G.Ciccotti  “Path integral based calculations of symmetrized time correlation functions, I” J.Chem.Phys., 133, 164104 (2010)
330
329	153) L.Maragliano, G.Cottone, G.Ciccotti, and E.Vanden-Eijnden “Mapping the network of pathways of CO diffusion in mioglobina” JACS, 132, 1010-1017 (2010)
328
327	152) C.Hartmann, C.Schuette, and G.Ciccotti  “On the linear response of mechanical systems with constraints” J.Chem.Phys., 132, 111103 (2010)
326
325	151) A.Jezierska, R.Vuilleumier, J.J.Panek, and G.Ciccotti “Molecular properties investigations of an ortho-hydroxy Schiff base type compound: a combined DFT, AIM and first-principle molecular dynamics approac” J.Phys.Chem.B, 114, 242-253 (2010)
324
323	2009
322
321	150) S.Bonella, G.Ciccotti, and R.Kapral “Linearization approximations and Liouville quantum-classical dynamics” Chem.Phys.Lett., 484, 399-404 (2009)
320
319	149) M.L.Mugnai, S.Caprara, G.Ciccotti, C.Pierleoni, and M.Mareschal  “Transient hydrodynamical behavior by dynamical nonequilibrium molecular dynamics: The formation of convective cells” J.Chem.Phys., 131, 064106 (2009)
318
317	148) M.Monteferrante, S.Bonella, S.Meloni, and G.Ciccotti “Modified single sweep method for reconstructing free energy landscapes”  Mol.Sim., 35, 1116-1129 (2009)
316
315	147) M.Mareschal, S.Vantieghem, M.L.Mugnai, S.Caprara, G.Ciccotti, and C.Pierleoni “Compressible convective instability by Molecular Dynamics” In: “Proceedings of Symposium on the 50th Anniversary of the Alder transition” Y.Hiwatari and M.Isobe, Eds Prog. of Theor.Phys.Suppl., 178, 15 (2009)
314
313	146-B) S.Bonella, D.F.Coker, D.Mac Kernan, R.Kapral, and G.Ciccotti “Trajectory based simulations of mixed quantum-classical systems” In: “Energy Transfer Dynamics in Biomaterial Systems” E.R.Bittner, I.Burghardt, V.May, and D.A.Micha, Eds.  CPS, Springer, Berlin, 2009
312
311	145-B) G.Ciccotti, S.Caprara, and F.Agostini  “Do we have a consistent non-adiabatic quantum-classical statistical mechanics?”  In: “Energy Transfer Dynamics in Biomaterial Systems” E.R.Bittner, I.Burghardt, V.May, and D.A.Micha, Eds.   CPS, Springer, Berlin, 2009
310
309	144) C.Hartmann, C.Schuette, G.Kalibaeva, M.Di Pierro, and G.Ciccotti  “Fast simulation of polymer chains”  J.Chem.Phys., 130, 144101 (2009)
308
307	143) M.Venturoli, E.Vanden Eijnden, and G.Ciccotti “Kinetics of phase transitions in the two-dimensional Ising models studied with the string methods” J.Math.Chem., 45, 188 (2009)
306
305	2008
304
303	142) P.L.Palla, C.Pierleoni, and G.Ciccotti  “Bulk viscosity of the Lennard-Jones system at the triple point by dynamical nonequilibrium molecular dynamics”   Phys.Rev.E, 78, 021204 (2008)
302
301	141) E.Vanden Eijnden, M.Venturoli, G.Ciccotti, and R.Elber “On the assumptions underlying milestoning” J.Chem.Phys., 129, 174102 (2008)
300
299	140) M.Monteferrante, S.Bonella, S.Meloni, E.Vanden Eijnden, and G.Ciccotti  “Calculations of free energy barriers for local mechanisms of hydrogen diffusion in alanates” Scient.Model. and Simul. SMNS, 15, 187 (2008)
298
297	139) D.Mac Kernan, G.Ciccotti, and R.Kapral “Trotter-Based Simulation of Quantum-Classical Dynamics” J.Phys.Chem., 112, 424 (2008)
296
295	138) G.Ciccotti, E.Vanden Eijnden, and T.Lelievre  “Projection of diffusions on submanifolds: Application to mean force computation”  Comm.Pure and Applied Math., 61, 371 (2008)
294
293	2007
292
291	137) F.Agostini, S.Caprara, and G.Ciccotti  “Do we have a consistent non adiabatic quantum-classical mechanics?”  Europhys.Lett., 78, 30001 (2007)
290
289	136) C.Simon, G.Ciccotti, and M.L.Klein  “Computing the acidity of liquids via ab initio molecular dynamics”  Chem.Phys.Chem., 8, 2072 (2007)
288
287	135) V.Marry, and G.Ciccotti  “Trotter derived algorithms for molecular dynamics with constraints: Velocity Verlet revisited” J.Comp.Phys., 222, 428 (2007)
286
285	2006
284
283	134) E.Vanden Eijnden, and G.Ciccotti  “Second-order integrators for Langevin equations with holonomic constraints” Chem.Phys.Lett., 429, 310 (2006)
282
281	133) M.S.Causo, G.Ciccotti, S.Bonella, and R.Vuilleumier  “An adiabatic linearized path integral approach for quantum time correlation functions II: A cumulant expansion method for improving convergence” J.Phys.Chem.B, 110, 3638 (2006)
280
279	132) L.Maragliano, A.Fischer, E.Vanden Eijnden, and G.Ciccotti  “String method in collective variables: minimum free energy paths and isocommittor surfaces”  J.Chem.Phys., 125, 024106 (2006)
278
277	131-B) R.Kapral, and G.Ciccotti  “Transport Coefficients of Quantum-Classical Systems” In: “Computer Simulations in Condensed Matter: From Materials to Chemical Biology” M.Ferrario, G.Ciccotti, and K.Binder, Eds. LNP, Springer, Berlin, 2006
276
275	130-B) G.Ciccotti, D.Coker, and R.Kapral “Quantum statistical dynamics with trajectories” In: “Quantum Dynamics of Complex Molecular Systems” I.Burghardt, and D.Micha, Eds. CPS, Springer, Berlin, 2006
274
273	129) G.Kalibaeva, R.Vuilleumier, S.Meloni, A.Alavi, G.Ciccotti, and R.Rosei “Ab initio simulation of carbon clustering on Ni(111) surface: a model of the poisoning of nickel based catalysts” J.Phys.Chem.B, 110, 3638 (2006)
272
271	128) F.Pizzitutti, A.Giansanti, P.Ballario, P.Ornaghi, P.Torreri, G.Ciccotti., and P.Filetici “Relevant role of loop ZA and Pro371 in the function of yeast Gcn5p bromodomain: evidences from Molecular Dynamics and experiments” Journal of Molecular Recognition, 19, 1 (2006)
270
269	2005
268
267	127) G.Ciccotti, R.Kapral, and E.Vanden Eijnden  “Blue Moon sampling, vectorial reaction coordinates, and unbiased constrained dynamics” Chem.Phys.Chem., 6, 1809 (2005)
266
265	126) G.Costantini, U.Marini Bettolo Marconi, G.Kalibaeva, and G.Ciccotti “The inelastic hard dimer gas: a non spherical model for granular matter” J.Chem.Phys., 122, 164505 (2005)
264
263	125) M.S.Causo, G.Ciccotti, D.Montemayor, S.Bonella, and D.F.Coker “An adiabatic linearized path integral approach for quantum time correlation functions: Electronic transport in metal-molten salt solutions” J.Phys.Chem.B, 109, 6855 (2005)
262
261	124-B) G.Ciccotti, R.Kapral “Molecular Dynamics: An account of its evolution” In: “Theory and Applications of Computational Chemistry: The First Forty Years” C.Dykstra, G.Frenking, K.Kim, G.Scuseria, Eds. Elsevier, Amsterdam, 2005
260
259	123-B) G.Ciccotti, R.Kapral, and A.Sergi “Nonequilibrium Molecular Dynamics” In: “Encyclopedia of Materials Modeling” S.Yip, Ed. Springer, New York, 2005
258
257	122-B) G.Ciccotti, R.Kapral, and A.Sergi “Simulating reactions that occur once in a blue moon” In: “Encyclopedia of Materials Modeling”  S.Yip, Ed. Springer, New York, 2005
256
255	121) G.Cottone, S.Giuffrida, G.Ciccotti, and L.Cordone “Structure-dynamics coupling between protein and external matrix in sucrose coated and in trehalose coated Mb-Co. II. A simulative study”  Biophys.J., 59, 291 (2005)
254
253	2004 - 2000
252
251	120-P) L.Maragliano, M.Ferrario, and G.Ciccotti “Effective binding force calculation in dimeric proteins” Molecular Simulations, 30, 807 (2004)
250
249	119-P) G.Ciccotti, and M.Ferrario “Blue Moon approach to rare events” Molecular Simulations, 30, 787 (2004)
248
247	118) R.L.C.Akkermans, and G.Ciccotti “On the equivalence of atomic and molecular pressure” J.Phys.Chem.B, 108, 6866 (2004)
246
245	117-P) G.Ciccotti, and G.Kalibaeva “Deterministic and stochastic algorithms for mechanical systems under constraints” Phil.Trans. of the Royal Soc., 362, 1583 (2004)
244
243	116-B) G.Ciccotti, and G.Kalibaeva “Molecular dynamics of complex systems: non-hamiltonian, constrained, quantum-classical” In: “Novel Methods in Soft Matter Simulations” M.Kartunnen, Ed. Lecture Notes in Physics, Vol.640, p.150 Springer, Berlin, 2004
242
241	115) L.Maragliano, G.Cottone, L.Cordone, and G.Ciccotti “Atomic mean square displacements in proteins by Molecular Dynamics: a case for analysis of variance” Biophys.J., 86, 2765 (2004)
240
239	114) G.Kalibaeva, and G.Ciccotti “Simulation of a diatomic liquid using hard spheres model” J.Stat.Phys, 115, 701 (2004)
238
237	113) I.Coluzza, M.Sprik, and G.Ciccotti “Constrained reaction coordinate dynamics for systems with constraints” Mol.Phys., 101, 2885 (2003)
236
235	112) A.Ricci, and G.Ciccotti “Algorithms for brownian dynamics” Mol.Phys., 101, 1927 (2003)
234
233	111) G.B.Suffritti, P.Demontis, and G.Ciccotti “Comment on: Does lattice vibration drive diffusion in zeolites?” J.Chem.Phys., 118, 3439 (2003)
232
231	110) A.Sergi, D.Mac Kernan, G.Ciccotti, and R.Kapral “Simulating quantum dynamics in classical environments” Theor.Chem.Accounts, 110, 49 (2003)
230
229	109-P) R.Kapral, and G.Ciccotti “A statistical mechanical theory of quantum dynamics in classical environments” In: “Bridging time scales: Molecular simulations for the next decade” SIMU Conference, Konstanz 2001 P.Nielaba, M.Mareschal, and G.Ciccotti, Eds.  Springer, Berlin, 2003
228
227	108) G.Kalibaeva, M.Ferrario, and G.Ciccotti “Constant pressure-constant temperature molecular dynamics: a correct constrained NPT ensemble using the molecular virial” Mol.Phys., 101, 765 (2003)
226
225	107) D.Mac Kernan, R.Kapral, and G.Ciccotti “Sequential short-time propagation of quantum-classical dynamics” J.Phys.: Condens. Matter, 14, 9069 (2002)
224
223	106) A.Perronace, G.Ciccotti, F.Leroy, A.H.Fuchs, and B.Rousseau “Soret coefficient for liquid Argon-Kripton mixtures via equilibrium and non-equilibrium Molecular Dynamics: a comparison with experiments” Phys.Rev.E, 66, 031201 (2002)
222
221	105) M.Ferrario, G.Ciccotti, E.Spohr, T.Cartailler, and P.Turq “Solubility of KF in water by Molecular Dynamics using the Kirkwood integration method” J.Chem.Phys., 117, 4947 (2002)
220
219	104) G.Cottone, L.Cordone, and G.Ciccotti “Protein-trehalose-water structures in trehalose coated carboxy-myoglobin” J.Chem.Phys., 117, 9862 (2002)
218
217	103) D.Mac Kernan, G.Ciccotti, and R.Kapral “Surface-hopping dynamics of a spin-boson system” J.Chem.Phys., 116, 2346 (2002)
216
215	102) A.Sergi, G.Ciccotti, M.Falconi, A.Desideri, and M.Ferrario “Effective binding force calculation in a dimeric protein by molecular dynamics simulation” J.Chem.Phys., 116, 6329 (2002)
214
213	101) T.O.White, G.Ciccotti, and J.P.Hansen “Brownian dynamics with constraints” Mol.Phys., 99, 2023 (2001)
212
211	100) S.Nielsen, R.Kapral, and G.Ciccotti “Statistical mechanics of quantum-classical systems” J.Chem.Phys., 115, 5805 (2001)
210
209	99) A.Perronace, J.M.Simon, B.Rousseau, and G.Ciccotti “Flux expressions and nonequilibrium molecular dynamics perturbations for models of semiflexible molecules” Mol.Phys., 99, 1139 (2001)
208
207	98) G.Ciccotti, G.J.Martyna, S.Melchionna, and M.E.Tuckerman  “Constrained isothermal-isobaric molecular dynamics with full atomic virial” J.Phys.Chem.B, 105, 6710 (2001)
206
205	97) M.E.Tuckerman, G.Ciccotti, and G.J.Martyna “Non-hamiltonian molecular dynamics: generalizing hamiltonian phase space principles to non-hamiltonian systems” J.Chem.Phys., 115, 1678 (2001)
204
203	96) G.Cottone, L.Cordone, and G.Ciccotti “MD simulation of carboxy-myoglobin embedded in a thehalose-water matrix” Biophys.J., 80, 931 (2001)
202
201	95) G.Ciccotti, and M.Ferrario “Rare events by constrained molecular dynamics” J.Mol.Liquids, 89, 1 (2000)
200
199	94) S.Nielsen, R.Kapral, and G.Ciccotti “Non-adiabatic dynamics in mixed quantum-classical systems” J.Stat.Phys., 101, 225 (2000)
198
197	93) S.Nielsen, R.Kapral, and G.Ciccotti “Mixed quantum-classical Surface hopping dynamics” J.Chem.Phys., 112, 6543 (2000)
196
195	92) S.Fioravanti, R.G.Winkler, G.Ciccotti, C.Margheritis, and M.Villa “Hydration of beta-cyclodextrin. An MD Sudy” J.Comp.Aided Mol.Design, 14, 659 (2000)
194
193	1999 - 1995
192
191	91) R.Kapral, and G.Ciccotti “Mixed quantum-classical dynamics” J.Chem.Phys., 110, 8919 (1999)
190
189	90) G.Ciccotti, C.Pierleoni, F.Capuani, and V.S.Filinov “Wigner approach to the semiclassical dynamics of a quantum many-body system: the dynamic scattering function of 4/He” Comp.Phys.Comm., 121-122, 452 (1999)
188
187	89) M.Sprik, and G.Ciccotti “Free energy from constrained molecular dynamics” J.Chem.Phys., 109, 7737 (1998)
186
185	88) M.Falconi, A.Desideri, A.Cupane, M.Leone, G.Ciccotti, A.Gambacurta, F.Ascoli “Structural dynamics properties of the Thr72--> Ile mutant of the homodimeric haemoglobin from Scapharca inaequivalvis. A Molecular Dynamics simulation and Low Temperature Optical Spectroscopy study” Biophys.J., 75, 2489 (1998)
184
183	87) A.Palma, A.Pasquarello, G.Ciccotti, and R.Car “Cu^++ and Li^++ interaction with Polyethylene oxide by ab-initio Molecular Dynamics” J.Chem.Phys., 108, 9933 (1998)
182
181	86-B) D.Laria, G.Ciccotti, D.F.Coker, M.Ferrario, and R.Kapral “Nonadiabatic Molecular Dynamics methods for diffusion” In: “Simulation of classical and quantum dynamics in condensed phase” Euroconference 1997, B.J.Berne, G.Ciccotti, and D.F.Coker, Eds. World Scientific, Singapore, 1998
180
179	85-B) G.Ciccotti, and M.Ferrario “Constrained and Nonequilibrium Molecular Dynamics” In: “Simulation of classical and quantum dynamics in condensed phase” Euroconference 1997, B.J.Berne, G.Ciccotti, and D.F.Coker, Eds. World Scientific, Singapore, 1998
178
177	84-P) S.Cozzini, L.F.Rull, G.Ciccotti, and G.V.Paolini “Intrinsic frame transport for a model of nematic liquid crystal” Physica A, 240, 173 (1997)
176
175	83-P) M.Ferrario, A.Fiorina, and G.Ciccotti “Long time tails in two-dimensional fluids by MD” Physica A, 240, 268 (1997)
174
173	82) S.Melchionna, and G.Ciccotti “Atomic stress isobaric scaling for systems subjected to holonomic constraints” J.Chem.Phys., 106, 195 (1997)
172
171	81) S.Melchionna, M.Barteri, and G.Ciccotti “MD of microperoxidases in aqueous and non-aqueous solutions” J.Phys.Chem., 19241, 100 (1996)
170
169	80-B) G.Ciccotti, and M.Ferrario “MD simulation of rare events: calculation of rate constants” In: “MC and MD of condensed matter systems” Euroconference 1995  K.Binder and G.Ciccotti, Eds.  SIF, 1996
168
167	79) S.Melchionna, G.Ciccotti, and B.L.Holian “Comment on: Constant pressure molecular dynamics algorithms”  J.Chem.Phys., 105, 346 (1996)
166
165	78) S.Bonella, G.Ciccotti, and D.Coker “Research note on semiclassical limit in the intermediate scattering function” Mol.Phys., 89, 1203 (1996)
164
163	77) D.Laria, R.Kapral, D.Estrin, and G.Ciccotti “MD study of solvation effects on acid dissociation in aprotic media” J.Chem.Phys., 104, 1 (1996)
162
161	76-B) G.Ciccotti, M.Ferrario, D.Laria, and R.Kapral “Simulation of classical and quantum activated processes in the condensed phase” In: “Progress in computational physics of matter: methods, software and applications” L.Reatto and F.Manghi, Eds.  World Scientific, Singapore, 1995
160
159	75) M.H.Mueser, and G.Ciccotti “Two-dimensional orientational motion as a multichannel reaction by computer simulation” J.Chem.Phys., 103, 4273 (1995)
158
157	74) D.Gravina, G.Ciccotti, and B.L.Holian, “Linear and nonlinear viscous flow in two-dimensional fluids” Phys.Rev.E, 52, 6123 (1995)
156
155	73) S.Melchionna, M.Barteri, and G.Ciccotti “Molecular Dynamics study of monomeric haem undecapeptide of cytochrome C” J. of Computer-aided Materials Design, 2, 9 (1995)
154
153	72) H.Luo, G.Ciccotti, M.Mareschal, M.Meyer, and B.Zappoli “Thermal relaxation of supercritical fluids by equilibrium molecular dynamics” Phys.Rev.E, 51, 2013 (1995)
152
151	1994 - 1990
150
149	71) M.Ferrario, D.Laria, G.Ciccotti, and R.Kapral “Quantum effects on the solvent contribution to the activation free energy” J. of Mol.Liq., 61, 37 (1994)
148
147	70-P) D.Laria, G.Ciccotti, M.Ferrario, and R.Kapral “Proton transfer in solution” In: “Lectures on Thermodynamics and Statistical Mechanics” Proceedings of XXII Winter Meeting in Statistical Physics, Oaxtepec, Mexico M.Lopez de Haro, and C.Varea, Eds. World Scientific, Singapore, 1994
146
145	69) D.Laria, G.Ciccotti, M.Ferrario, and R.Kapral “Activation free energy for proton transfer in solution” Chem.Phys., 180, 181 (1994)
144
143	68) J.M.Depaepe, J.P.Ryckaert, E.Paci, and G.Ciccotti “Sampling of molecular conformations by Molecular Dynamics technique” Mol.Phys., 79, 515 (1993)
142
141	67) G.V.Paolini, G.Ciccotti, and M.Ferrario “Simulation of site-site soft-core liquid crystal models” Mol.Phys., 80, 297 (1993)
140
139	66) S.Melchionna, G.Ciccotti, and B.L.Holian “Hoover's style Molecular Dynamics for systems varying in shape and size” Mol.Phys., 78, 533 (1993)
138
137	65-B) G.Ciccotti, C.Pierleoni, and J.P.Ryckaert “Theoretical foundations and rheological applications of nonequilibrium molecular dynamics” In: “Microscopic Simulations of Complex Hydrodynamic Phenomena” M.Mareschal, and B.L.Holian, Eds. Plenum Press, New York, 1992
136
135	64) D.Laria, G.Ciccotti, M.Ferrario, and R.Kapral “Molecular Dynamics study of adiabatic proton transfer reactions in solution” J.Chem.Phys., 97, 378 (1992)
134
133	63) W.Loose, and G.Ciccotti “Temperature and temperature control in nonequilibrium molecular dynamics simulations of the shear flow of dense liquids” Phys.Rev.A, 45, 3859 (1992)
132
131	62) E.Paci, and G.Ciccotti “Vacancy migration rates by molecular dynamics with constraints” J. of Phys.: Condensed Matter, 4, 2173 (1992)
130
129	61) M.Ferrario, G.Ciccotti, B.L.Holian, and J.P.Ryckaert “Shear-rate dependence of the viscosity of Argon at triple point” Phys.Rev.A, 44, 6936 (1991)
128
127	60-B) G.Ciccotti “Molecular Dynamics simulations of nonequilibrium phenomena and rare dynamical events” In: “Computer Simulation in Material Science: Interatomic potentials, Techniques and Applications” M.Meyer, and V.Pontikis, Eds. Kluwer Academic Publishers, Dordrecht, 1991
126
125	59) E.Paci, G.Ciccotti, M.Ferrario, and R.Kapral “Activation energies by molecular dynamics with constraints” Chem.Phys.Lett. 176, 581 (1991)
124
123	58-B) M.Ferrario, G.Ciccotti, J.T.Hynes, and R.Kapral “Molecular Dynamics Simulation on Supercomputers of Chemical Reactions in Solution” In: “Supercomputing Tools for Science and Engineering” D.Laforenza, and R.Perego, Eds. Franco Angeli Libri, Milano, 1990
122
121	57) G.Ciccotti, M.Ferrario, J.T.Hynes, and R.Kapral “Dynamics of Ion Pair Interconversion in a Polar Solvent” J.Chem.Phys., 93, 7137 (1990)
120
119	56) G.V.Paolini, G.Ciccotti, and H.Van Beijeren “Nonequilibrium Molecular Dynamics via a Nondiverging Subtraction Technique” Phys.Rev.A, 42, 5912 (1990)
118
117	55-P) G.Ciccotti “The Nonexistence of Nonlinear Laws for Simple Fluids by Nonequilibrium Molecular Dynamics” In: “Microscopic Simulations of Complex Flows” M.Mareschal, Ed. Plenum Press, New York, 1990
116
115	54-B) G.Ciccotti “Computer Simulation of Equilibrium and Nonequilibrium Molecular Dynamics”  In: “Liquids, Freezing and Glass transition” J.P.Hansen, D.Levesque, and J.Zinn-Justin, Eds. Elsevier Science Publishers, Amsterdam, 1990
114
113	53-P) J.T.Hynes, E.A.Carter, G.Ciccotti, M.Ferrario, and R.Kapral “Environmental Dynamics and Electron Transfer Reactions” In: “Perspectives in Photosynthesis” J.Jortner, and B.Pullman, Eds. Kluwer, 1990
112
111	52) C.Pierleoni, and G.Ciccotti “Thermotransport coefficients of a classical binary ionic mixture by nonequilibrium Molecular Dynamics” J. of Phys.: Condensed Matter, 2, 1315 (1990)
110
109	1989 - 1985
108
107	51) D.A.Zichi, G.Ciccotti, J.T.Hynes, and M.Ferrario “Molecular Dynamics simulation of e-transfer reactions in solution” J. of Phys.Chem.: lett. sect., 93, 6261 (1989)
106
105	50) B.L.Holian, G.Ciccotti, W.G.Hoover, B.Moran, and H.A.Posch “Nonlinear-response theory for time-independent fields: consequences of the fractal nonequilibrium distribution function” Phys.Rev.A, 39, 5414 (1989)
104
103	49) E.A.Carter, G.Ciccotti, J.T.Hynes, and R.Kapral “Constrained reaction coordinate dynamics for the simulation of rare events” Chem.Phys.Lett., 156, 472 (1989)
102
101	48) R.Vogelsang, C.Hoheisel, P.Sindzingre, G.Ciccotti, and D.Frenkel “Computation of partial enthalpies of various Lennard-Jones mixtures by NPT Molecular Dynamics” J. of Phys.: Condensed Matter, 1, 957 (1989)
100
99	47) J.P.Ryckaert, A.Bellemans, G.Ciccotti, and G.V.Paolini “The evaluation of transport coefficients of simple fluids by Molecular Dynamics: comparison of Green-Kubo and non-equilibrium approaches for shear viscosity” Phys.Rev.A, 39, 259 (1989)
98
97	46) G.Ciccotti, M.Ferrario, J.T.Hynes, and R.Kapral “Constrained Molecular Dynamics and the mean potential for an ion pair in a polar solvent” Chem.Phys., 129, 241 (1989)
96
95	45) P.Sindzingre, C.Massobrio, G.Ciccotti, and D.Frenkel “Calculation of partial enthalpies of an Argon-Krypton mixture by NPT Molecular Dynamics” Chem.Phys., 129, 213 (1989)
94
93	44) C.Massobrio, V.Pontikis, and G.Ciccotti “Diffusion in the LJ glass model by equilibrium and nonequilibrium MD” Phys.Rev.B, 39, 2640 (1989)
92
91	43) C.Massobrio, V.Pontikis, and G.Ciccotti “MD study of the atomic diffusion in glasses induced by an external perturbation” Europhys.Lett., 5, 677 (1988)
90
89	42) M.Hayoun, M.Meyer, M.Mareschal, G.Ciccotti, and P.Turq “Molecular Dynamics simulation of a liquid-liquid interface” In: “Chemical reactivity in Liquids: Fundamental aspects” M.Moreau, and P.Turq, Eds.  Plenum Press, New York, 1988
88
87	41) G.Ciccotti, M.Ferrario, J.T.Hynes, and R.Kapral “Molecular Dynamics simulation of ion association reactions in a polar solvent” J. de Chimie Phys. (Paris), 85, 925 (1988)
86
85	40) P.Turq, J.L.Fernandez-Abascal, and G.Ciccotti “Brownian Dynamics of chemical reactions” In: “Chemical reactivity in Liquids: Fundamental aspects” M.Moreau, and P.Turq, Eds.  Plenum Press, New York, 1988
84
83	39) A.Bellemans, J.P.Ryckaert, G.Ciccotti, and G.V.Paolini “The shear rate dependence of the viscosity of simple fluids by molecular dynamics” Phys.Rev.Lett., 60, 128 (1988)
82
81	38) C.Pierleoni, G.Ciccotti, and B.Bernu “Thermal conductivity of the classical one-component plasma by non-equilibrium molecular-dynamics” Europhys.Lett., 4, 1115 (1987)
80
79	37) G.Ciccotti, M.Ferrario, E.Memeo, and M.Meyer “Structural transition on cooling of plastic adamantane: a molecular-dynamics study” Phys.Rev.Lett., 59, 2574 (1987)
78
77	36) G.Ciccotti, W.G.Hoover, C.Massobrio, and G.V.Paolini “Dense-fluid transport coefficients via the constrained subtraction technique” Phys.Rev.A, 36, 3471 (1987)
76
75	35) R.Vogelsang, C.Hoheisel, G.V.Paolini, and G.Ciccotti “Soret coefficient of isotopic Lennard-Jones mixtures and the Ar-Kr system as determined by equilibrium molecular dynamics” Phys.Rev.A, 36, 3964 (1987)
74
73	34) P.Sindzingre, G.Ciccotti, C.Massobrio, and D.Frenkel “Partial euthalpies and related quantities in mixtures from computer simulations” Chem.Phys.Lett., 136, 35 (1987)
72
71	33) R.Vogelsang, C.Hoheisel, and G.Ciccotti “Thermal conductivity of the Lennard-Jones Liquid by molecular dynamics calculations” J.Chem.Phys., 86, 6371 (1987)
70
69	32) G.V.Paolini, and G.Ciccotti “Cross thermotransport in Liquid mixtures by nonequilibrium molecular dynamics” Phys.Rev.A, 35, 5156 (1987)
68
67	31) G.Ciccotti, and J.P.Ryckaert “Molecular Dynamics simulation of rigid molecules” Comp.Phys.Rep., 3, 345 (1986) (Review)
66
65	30) G.V.Paolini, G.Ciccotti, and C.Massobrio “Non-Linear thermal response of a LJ fluid near its triple point” Phys.Rev.A, 34, 1355 (1986)
64
63	29) M.Meyer, C.Marhic, and G.Ciccotti “Molecular Dynamics simulation of plastic adamantane. II. Reorientation motion”  Mol.Phys., 58, 723 (1986)
62
61	28) J.P.Ryckaert, and G.Ciccotti “Andersen's canonical-ensemble molecular dynamics for molecules with constraints” Mol.Phys., 58, 1125 (1986)
60
59	27) V.Rosato, G.Ciccotti, and V.Pontikis “Molecular Dynamics study of surface premelting effects” Phys.Rev.B, 33, 1860 (1986)
58
57	26) W.G.Hoover, G.Ciccotti, G.V.Paolini, and C.Massobrio “Lennard-Jones triple-point conductivity via weak external fields: Additional calculations” Phys.Rev.A, 32, 3765 (1985)
56
55	25-P) V.Rosato, V.Pontikis, and G.Ciccotti “Cooperative Premelting Effects on a (110) fcc surface: a Molecular Dynamics study” Proceed.Mat.Res.Soc.Symp., 63, 241 (1985)
54
53	24) M.Meyer, and G.Ciccotti “Molecular Dynamics simulation of plastic Adamantane. I. Structural Properties” Mol.Phys., 56, 1235 (1985)
52
51	1984 - 1980
50
49	23) C.Massobrio, and G.Ciccotti “Lennard-Jones triple-point conductivity via weak external fields” Phys.Rev.A, 30, 3191 (1984)
48
47	22) M.Guillopé, G.Ciccotti, and V.Pontikis “Relations between intergranular diffusion and structure: a molecular dynamics study” Surface Science, 144, 67 (1984)
46
45	21) G.Ciccotti, P.Turq, and F.Lantelme “Cluster approach to ion association reactions in electrolyte solutions” Chem.Phys., 88, 333 (1984)
44
43	20) C.Trozzi, and G.Ciccotti “Stationary non-equilibrium states by molecular dynamics. II. Newton's Law” Phys.Rev.A, 29, 916 (1984)
42
41	19) G.Ciccotti, and G.Ferrari “Was Poincare a herald of quantum theory?” European J. of Phys., 4, 110 (1983)
40
39	18) J.P.Ryckaert, and G.Ciccotti “Introduction of Andersen's demon in the molecular dynamics of systems with contraints” J.Chem.Phys., 78, 7368 (1983)
38
37	17) G.Ciccotti, M.Guillopé, and V.Pontikis “High-angle grain-boundary premelting transition: a molecular dynamics study” Phys.Rev.B, 22, 5576 (1983)
36
35	16) A.Tenenbaum, G.Ciccotti, and R.Gallico “Stationary non-equilibrium states by molecular dynamics. Fourier's Law” Phys.Rev.A, 25, 2778 (1982)
34
33	15) G.Ciccotti, M.Ferrario, and J.P.Ryckaert “Molecular dynamics of rigid systems in cartesian coordinates. A general formulation” Mol.Phys., 47, 1253 (1982)
32
31	14) G.Ciccotti, M.Ferrario, and J.P.Ryckaert “Computer simulation of the generalized brownian motion. II. An argon particle in Argon Fluid” Mol.Phys., 46, 875 (1982)
30
29	13) J.P.Ryckaert, A.Bellemans, and G.Ciccotti “The Rotation-Translation coupling in diatomic molecules” Mol.Phys., 44, 979 (1981)
28
27	12) G.Ciccotti, and J.P.Ryckaert “On the derivation of the generalized Langevin equation for interacting brownian particles” J.Stat.Phys., 26, 73 (1981)
26
25	11) G.Ciccotti, and A.Tenenbaum “Canonical Ensemble and Nonequilibrium States by Molecular Dynamics” J.Stat.Phys., 23, 767 (1980)
24
23	10) G.Ciccotti, and J.P.Ryckaert “Computer simulation of the generalized brownian motion. I. The scalar case” Mol.Phys., 40, 141 (1980)
22
21	1979 - 1975
20
19	9) G.Ciccotti, G.Jacucci, and I.R.McDonald “Thought~Experiments by Molecular Dynamics” J. of Stat.Phys., 21, 1 (1979)
18
17	8) G.Ciccotti, G.Jacucci, and I.R.McDonald “Thermal Response to a weak external field” J. of Phys.C, 11, 509 (1978)
16
15	7) J.P.Ryckaert, G.Ciccotti, and H.J.C.Berendsen “Numerical integration of the Cartesian equation of motion of a system with constraints: molecular dynamics of N-alkanes” J. of Computational Physics, 23, 327 (1977)
14
13	6) G.Ciccotti, G.Jacucci, and I.R.McDonald “Transport properties of molten alkali halides” Phys.Rev.A, 123, 426 (1976)
12
11	5) G.Ciccotti, and G.Jacucci “Direct computation of dynamical response by molecular dynamics: the mobility of a charged Lennard-Jones particle” Phys.Rev.Lett., 35, 789 (1975)
10
9	1974 - 1969
8
7	4) G.Ciccotti, and G.Jona-Lasinio “The modern epistemological debate and the socialization of sciences” Scientia, 108, 481 (1973)
6
5	3) D.Capocaccia, M.Cassandro, and G.Ciccotti “Equilibrium states of an Ising ferromagnet in the low temperature region” Commun.Math.Phys., 29, 31 (1973)
4
3	2) D.Capocaccia, G.Ciccotti, and C.Di Castro “Some consequences of sum rules in the dynamic scaling approach” Phys.Lett., 32A, 359 (1970)
2
1	1) D.Capocaccia, and G.Ciccotti “Sum Rules for π-N scattering in the backward direction” Nuovo Cimento, 61A, 369 (1969)

---oOo---

0000	BOOKS
916	B9)	“Computer meets Theoretical Physics: The new frontier of Molecular Simulation” G.Battimelli, G.Ciccotti, P.Greco Springer, Berlin, 2020
915
914	B8)	“Molecular Dynamics Simulation” Printed Edition of the Special Entropy Issue G.Ciccotti, M.Ferrario, and C.Schuette, Eds. MDPI, Basel, Beijing, 2014
913
912	B7)	“Constraints: From physical principles to molecular simulations and beyond” Special Topics issue of the European Physical Journal, P.Echenique, and G.Ciccotti, Eds.  Springer, Berlin, 2011
911
910	B6)	“Computer Simulations in Condensed Matter: From Materials to Chemical Biology” M.Ferrario, G.Ciccotti, and K.Binder, Eds. LNP Voll. 1&2, Springer, Berlin, 2006
909
908	B5)	“Bridging time scales: Molecular simulations for the next decade” SIMU Conference, Konstanz 2001 P.Nielaba, M.Mareschal, and G.Ciccotti, Eds.  Springer, Berlin, 2003
907
906	B4)	“Simulation of classical and quantum dynamics in condensed phase” Euroconference 1997  B.J.Berne, G.Ciccotti, and D.F.Coker, Eds.  World Scientific, Singapore, 1998
905
904	B3)	“MC and MD of condensed matter systems” Euroconference 1995 K.Binder, and G.Ciccotti, Eds.  SIF, Bologna, 1996
903
902	B2)	“Simulation of Liquids and Solids. Molecular Dynamics and MonteCarlo methods in Statistical Mechanics. A reprint book.” G.Ciccotti, D.Frenkel, and I.R.McDonald, Eds.  North Holland, Amsterdam, 1987
901
900	B1)	“Molecular Dynamics Simulation of Statistical Mechanical Systems” “E.Fermi” SFI Summer School 1985  G.Ciccotti, and W.G.Hoover, Eds.  North Holland, Amsterdam, 1986

LEGEND

          P = Proceedings of a conference

          B = Contribution to a book, either Summer School or Collective book

-----oOo-----