Giovanni Ciccotti

Giovanni Ciccotti's AcademicInfluence.com Rankings

Giovanni Ciccotti

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According to Wikipedia, Giovanni Ciccotti is an Italian physicist. Ciccotti held the position of Professor of the Structure of Matter at the University of Rome La Sapienza until 2013. He is the author of more than a hundred articles on molecular dynamics and statistical mechanics. He worked with J.P. Ryckaert on new methods for molecular dynamics on constrained systems. See also SHAKE algorithm.

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Giovanni Ciccotti's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes (1977) (16561)
Hoover NPT dynamics for systems varying in shape and size (1993) (870)
Constrained reaction coordinate dynamics for the simulation of rare events (1989) (692)
Constrained reaction coordinate dynamics for the simulation of rare events (1989) (692)
Free energy from constrained molecular dynamics (1998) (606)
String method in collective variables: minimum free energy paths and isocommittor surfaces. (2006) (574)
Mixed quantum-classical dynamics (1999) (480)
Book Review: Classical and Quantum Dynamics in Condensed Phase Simulations (1998) (458)
Molecular dynamics simulation of rigid molecules (1986) (340)
Molecular dynamics of rigid systems in cartesian coordinates: A general formulation (1982) (282)
Non-Hamiltonian molecular dynamics: Generalizing Hamiltonian phase space principles to non-Hamiltonian systems (2001) (273)
Constrained molecular dynamics and the mean potential for an ion pair in a polar solvent (1989) (181)
Transport properties of molten alkali halides (1976) (167)
Algorithms for Brownian dynamics (2003) (165)
Second-order integrators for Langevin equations with holonomic constraints (2006) (164)
Dynamics of ion pair interconversion in a polar solvent (1990) (159)
On the assumptions underlying milestoning. (2008) (155)
Blue moon sampling, vectorial reaction coordinates, and unbiased constrained dynamics. (2005) (146)
Stationary nonequilibrium states by molecular dynamics. Fourier's law (1982) (145)
“Thought-experiments” by molecular dynamics (1979) (139)
Simulation of liquids and solids (1987) (129)
Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir. (2011) (128)
Mixed quantum-classical surface hopping dynamics (2000) (125)
Bridging time scales: molecular simulations for the next decade (2002) (122)
Thermal conductivity of the Lennard‐Jones liquid by molecular dynamics calculations (1987) (114)
Statistical mechanics of quantum-classical systems (2001) (113)
Molecular dynamics simulation of electron-transfer reactions in solution (1989) (110)
Protein–trehalose–water structures in trehalose coated carboxy-myoglobin (2002) (107)
Partial enthalpies and related quantities in mixtures from computer simulation (1987) (104)
Stationary nonequilibrium states by molecular dynamics. II. Newton's law (1984) (101)
Simulation of liquids and solids : molecular dynamics and Monte Carlo methods in statistical mechanics (1987) (100)
Mapping the network of pathways of CO diffusion in myoglobin. (2010) (100)
High-angle grain-boundary premelting transition: A molecular-dynamics study (1983) (99)
Direct Computation of Dynamical Response by Molecular Dynamics: The Mobility of a Charged Lennard-Jones Particle (1975) (93)
Introduction of Andersen’s demon in the molecular dynamics of systems with constraints (1983) (91)
Trotter-based simulation of quantum-classical dynamics. (2008) (89)
Computer Simulations in Condensed Matter: Systems: From Materials to Chemical Biology. Volume 1 (2006) (89)
Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology. Volume 2 (Lecture Notes in Physics) (2006) (86)
Molecular‐dynamics study of adiabatic proton‐transfer reactions in solution (1992) (85)
Constant pressure-constant temperature molecular dynamics: a correct constrained NPT ensemble using the molecular virial (2003) (84)
ARTICLES Surface-hopping dynamics of a spin-boson system (2002) (82)
Methane Clathrate Hydrate Nucleation Mechanism by Advanced Molecular Simulations (2014) (81)
Projection of diffusions on submanifolds: Application to mean force computation (2008) (81)
Solubility of KF in water by molecular dynamics using the Kirkwood integration method (2002) (80)
Sequential short-time propagation of quantum-classical dynamics (2002) (78)
Molecular dynamics simulation of carboxy-myoglobin embedded in a trehalose-water matrix. (2001) (73)
The rotation-translation coupling in diatomic molecules (1981) (69)
Calculation of partial enthalpies of an argon-krypton mixture by NPT molecular dynamics (1989) (66)
Canonical ensemble and nonequilibrium states by molecular dynamics (1980) (58)
Molecular dynamics simulation of sucrose‐ and trehalose‐coated carboxy‐myoglobin (2005) (58)
Simulating quantum dynamics in classical environments (2003) (56)
Blue Moon Approach to Rare Events (2004) (55)
Activation energies by molecular dynamics with constraints (1991) (50)
On the derivation of the generalized Langevin equation for interacting Brownian particles (1981) (49)
Hydration of β-cyclodextrin: A molecular dynamics simulation study (2000) (45)
Monte Carlo and molecular dynamics of condensed matter systems : euroconference on computer simulation in condensed matter physics and chemistry, Como, 3-28 July 1995 (1996) (42)
Molecular-dynamics simulation of statistical-mechanical systems : Varenna on Lake Como, Villa Monastero, 23 July-2 August 1985 (1986) (41)
Ab initio simulation of carbon clustering on an Ni(111) surface: a model of the poisoning of nickel-based catalysts. (2006) (41)
Theory and methods for rare events (2012) (40)
Do we have a consistent non-adiabatic quantum-classical mechanics? (2007) (40)
Soret coefficient for liquid argon-krypton mixtures via equilibrium and nonequilibrium molecular dynamics: a comparison with experiments. (2002) (35)
Constrained reaction coordinate dynamics for systems with constraints (2003) (34)
Temperature accelerated Monte Carlo (TAMC): a method for sampling the free energy surface of non-analytical collective variables. (2011) (33)
Clathrate structure-type recognition: Application to hydrate nucleation and crystallisation. (2015) (33)
COMPUTER-SIMULATION OF THE GENERALIZED BROWNIAN-MOTION .1. THE SCALAR CASE (1980) (32)
Relations between intergranular diffusion and structure: A molecular dynamics study (1984) (32)
Hydration structure of the quaternary ammonium cations. (2010) (32)
Thermal Conductivity of the Classical One-Component Plasma by Nonequilibrium Molecular Dynamics (1987) (32)
Linearization approximations and Liouville quantum-classical dynamics (2010) (32)
Activation free energy for proton transfer in solution (1994) (32)
Non-Adiabatic Dynamics in Mixed Quantum-Classical Systems (2000) (31)
Dynamical Non-Equilibrium Molecular Dynamics (2013) (31)
Simulation of site-site soft-core liquid crystal models (1993) (30)
A Statistical Mechanical Theory of Quantum Dynamics in Classical Environments (2002) (30)
Non-Equilibrium Molecular Dynamics (2005) (28)
Molecular property investigations of an ortho-hydroxy Schiff base type compound with the first-principle molecular dynamics approach. (2010) (28)
Rare events by constrained molecular dynamics (2000) (28)
Hydrodynamics from statistical mechanics: combined dynamical-NEMD and conditional sampling to relax an interface between two immiscible liquids. (2011) (28)
Andersen's canonical-ensemble molecular dynamics for molecules with constraints (1986) (27)
Kinetics of phase transitions in two dimensional Ising models studied with the string method (2009) (26)
Computer simulation of the generalized brownian motion (1982) (25)
Sampling of molecular conformations by molecular dynamics techniques (1993) (25)
Mechanisms and Nucleation Rate of Methane Hydrate by Dynamical Nonequilibrium Molecular Dynamics (2017) (25)
Effective binding force calculation in a dimeric protein by molecular dynamics simulation (2002) (24)
Calculations of free energy barriers for local mechanisms of hydrogen diffusion in alanates (2008) (24)
Nucleation of Molecular Crystals Driven by Relative Information Entropy. (2018) (24)
Nuclear quantum effects in electronic (non)adiabatic dynamics (2018) (23)
On two possible definitions of the free energy for collective variables (2011) (22)
Atomic stress isobaric scaling for systems subjected to holonomic constraints (1997) (22)
Path integral based calculations of symmetrized time correlation functions. I. (2010) (22)
Non-equilibrium by molecular dynamics: a dynamical approach (2016) (21)
Thermal response to a weak external field (1978) (21)
An adiabatic linearized path integral approach for quantum time correlation functions: electronic transport in metal-molten salt solutions. (2005) (20)
MOLECULAR DYNAMICS OF MICROPEROXIDASES IN AQUEOUS AND NONAQUEOUS SOLUTIONS (1996) (19)
On metastability and Markov state models for non-stationary molecular dynamics. (2016) (19)
Intrinsic frame transport for a model of nematic liquid crystal (1997) (19)
The role of loop ZA and Pro371 in the function of yeast Gcn5p bromodomain revealed through molecular dynamics and experiment (2006) (19)
Probing the Structures of Hydrated Nafion in Different Morphologies Using Temperature-Accelerated Molecular Dynamics Simulations (2013) (18)
The inelastic hard dimer gas: a nonspherical model for granular matter. (2004) (18)
On the Equivalence of Atomic and Molecular Pressure (2004) (17)
Conformational Changes in Acetylcholine Binding Protein Investigated by Temperature Accelerated Molecular Dynamics (2014) (17)
A general mechanism for signal propagation in the nicotinic acetylcholine receptor family. (2019) (17)
Exploring the Conformational Dynamics of Alanine Dipeptide in Solution Subjected to an External Electric Field: A Nonequilibrium Molecular Dynamics Simulation. (2013) (17)
Berni Alder and the pioneering times of molecular simulation (2018) (16)
Time reversal symmetry in time-dependent correlation functions for systems in a constant magnetic field (2014) (16)
The physics of open systems for the simulation of complex molecular environments in soft matter. (2019) (16)
Thermal Diffusion in Binary Mixtures: Transient Behavior and Transport Coefficients from Equilibrium and Nonequilibrium Molecular Dynamics. (2017) (15)
Infrared spectroscopy of small protonated water clusters at room temperature: an effective modes analysis. (2011) (15)
Modified single sweep method for reconstructing free-energy landscapes (2009) (15)
Linearized symmetrized quantum time correlation functions calculation via phase pre-averaging (2011) (15)
Constrained Isothermal−Isobaric Molecular Dynamics with Full Atomic Virial† (2001) (14)
Bulk viscosity of the Lennard-Jones system at the triple point by dynamical nonequilibrium molecular dynamics. (2008) (14)
Solubility of paracetamol in ethanol by molecular dynamics using the extended Einstein crystal method and experiments. (2019) (14)
Combining Rare Events Techniques: Phase Change in Si Nanoparticles (2011) (13)
Transient hydrodynamical behavior by dynamical nonequilibrium molecular dynamics: the formation of convective cells. (2009) (13)
Time-reversal symmetry for systems in a constant external magnetic field. (2017) (13)
Computer Meets Theoretical Physics (2020) (13)
Temperature‐accelerated molecular dynamics gives insights into globular conformations sampled in the free state of the AC catalytic domain (2014) (13)
Mapping the hydropathy of amino acids based on their local solvation structure. (2014) (12)
Communication: Constrained molecular dynamics for polarizable models. (2018) (12)
A Structural Model of the Human α7 Nicotinic Receptor in an Open Conformation (2015) (12)
Dynamical nonequilibrium molecular dynamics reveals the structural basis for allostery and signal propagation in biomolecular systems (2021) (12)
Quantum dynamical structure factor of liquid neon via a quasiclassical symmetrized method. (2013) (12)
Free energies for rare events: Temperature accelerated MD and MC (2015) (11)
Atomic mean-square displacements in proteins by molecular dynamics: a case for analysis of variance. (2004) (11)
Molecular dynamics simulation of plastic adamantane (1986) (11)
Equilibrium and rate constants, and reaction mechanism of the HF dissociation in the HF(H2O)7 cluster by ab initio rare event simulations. (2013) (11)
Molecular Dynamics Simulations of Nonequilibrium Phenomena and Rare Dynamical Events (1991) (11)
Multiphoton absorption of myoglobin-nitric oxide complex: relaxation by D-NEMD of a stationary state. (2012) (11)
Cu++ and Li+ interaction with polyethylene oxide by ab initio molecular dynamics (1998) (11)
Deterministic and stochastic algorithms for mechanical systems under constraints (2004) (10)
Lennard-Jones triple-point conductivity via weak external fields: Additional calculations (1985) (10)
Direct observation of the substitution effects on the hydrogen bridge dynamics in selected Schiff bases--a comparative molecular dynamics study. (2011) (10)
Vacancy migration rates by molecular dynamics with constraints (1992) (10)
Thermotransport coefficients of a classical binary ionic mixture by non-equilibrium molecular dynamics (1990) (10)
Infrared spectroscopy and effective modes analysis of the protonated water dimer H+(H2O)2 at room temperature under H/D substitution. (2011) (10)
Molecular dynamics study of solvation effects on acid dissociation in aprotic media (1996) (10)
Effective Binding Force Calculation in Dimeric Proteins (2004) (10)
Mass-zero constrained molecular dynamics for electrode charges in simulations of electrochemical systems. (2020) (10)
Spontaneous chiral symmetry breaking in collective active motion. (2014) (10)
Molecular Dynamics Simulation (2014) (10)
Relaxation of a steep density gradient in a simple fluid: comparison between atomistic and continuum modeling. (2014) (10)
On the establishment of thermal diffusion in binary Lennard-Jones liquids (2016) (9)
Holonomic Constraints: A Case for Statistical Mechanics of Non-Hamiltonian Systems (2018) (9)
Time reversal and symmetries of time correlation functions (2018) (9)
SIMULATION OF CLASSICAL AND QUANTUM ACTIVATED PROCESSES IN THE CONDENSED PHASE (1995) (9)
Computing the acidity of liquids via ab initio molecular dynamics. (2007) (9)
Wigner approach to the semiclassical dynamics of a quantum many-body system: the dynamic scattering function of 4He (1999) (9)
Computation of partial enthalpies of various Lennard-Jones model mixtures by NPT molecular dynamics (1989) (9)
Communications: On the linear response of mechanical systems with constraints. (2010) (8)
Short range hydrogen diffusion in Na3AlH6. (2011) (8)
Molecular simulations: past, present, and future (a Topical Issue in EPJB) (2022) (8)
Comment on ‘‘Constant pressure molecular dynamics algorithms’’ [J. Chem. Phys. 101, 4177 (1994)] (1996) (8)
Quantum Trajectories for the Dynamics in the Exact Factorization Framework: A Proof-of-Principle Test. (2020) (8)
Trotter derived algorithms for molecular dynamics with constraints: Velocity Verlet revisited (2007) (8)
Adiabatic motion and statistical mechanics via mass-zero constrained dynamics. (2020) (7)
Comment on “Does lattice vibration drive diffusion in zeolites?” [J. Chem. Phys. 114, 3776 (2001)] (2003) (7)
Partitioning a macroscopic system into independent subsystems (2017) (7)
An adiabatic linearized path integral approach for quantum time-correlation functions II: a cumulant expansion method for improving convergence. (2006) (7)
The trees and the forest (2015) (7)
On the force–velocity relationship of a bundle of rigid bio-filaments (2017) (7)
Electroless formation of silver nanoaggregates: an experimental and molecular dynamics approach (2014) (7)
Hydrodynamics from dynamical non-equilibrium MD. (2011) (6)
Equilibrium states of an Ising ferromagnet in the low temperature region (1973) (6)
Long-time tails in two-dimensional fluids by molecular dynamics (1997) (6)
Molecular dynamics: An account of its evolution (2005) (6)
Two‐dimensional orientational motion as a multichannel reaction by computer simulation (1995) (6)
Computer Simulation in Condensed Matter: From Materials to Chemical Biology. Vol. 2 (2006) (6)
A semi-flexible model prediction for the polymerization force exerted by a living F-actin filament on a fixed wall. (2015) (6)
Gas phase infrared spectra via the phase integration quasi-classical method (2014) (5)
Simulation of a Diatomic Liquid Using Hard Spheres Model (2004) (5)
A new boundary driven NEMD scheme for heat and particle diffusion in binary mixtures (2021) (5)
Silver self aggregation in a nanodevice for enhanced Raman spectroscopy: experiments vs. simplified modeling via molecular dynamics. (2012) (5)
Transport Coefficients of Quantum-Classical Systems (2006) (5)
Sampling Boltzmann-Gibbs distributions restricted on a manifold with diusions: Application to free energy calculations (2006) (5)
Trajectory Based Simulations of Quantum-Classical Systems (2009) (5)
Theoretical foundation and rheological application of non-equilibrium molecular dynamics (1993) (5)
The Production of Science in Advanced Capitalist Society (1976) (5)
Cluster approach to ion association reactions in electrolyte solutions (1984) (5)
Molecular Dynamics of Complex Systems: Non-Hamiltonian, Constrained, Quantum-Classical (2004) (5)
Structural and dynamic properties of the homodimeric hemoglobin from Scapharca inaequivalvis Thr-72-->Ile mutant: molecular dynamics simulation, low temperature visible absorption spectroscopy, and resonance Raman spectroscopy studies. (1998) (4)
Gas phase infrared spectra from quasi-classical Kubo time correlation functions (2015) (4)
Quantum effects on the solvent contribution to the activation free energy (1994) (4)
Flux expressions and NEMD perturbations for models of semi-flexible molecules (2001) (4)
An observable for vacancy characterization and diffusion in crystals. (2012) (4)
Reply to the Comment by V. V. Kisil (2010) (4)
Molecular dynamics simulation of ion association reactions in a polar solvent (1988) (4)
Fast simulation of polymer chains. (2009) (4)
Coarse-graining stiff bonds (2011) (3)
The method of constraints in molecular dynamics: General aspects and application to chain molecules (1986) (3)
Cooperative Premelting Effects on a (110) FCC Surface: A Molecular Dynamics Study (1985) (3)
Molecular Dynamics Simulation of a Liquid-Liquid Interface (1988) (3)
Mass-Zero constrained dynamics and statistics for the shell model in magnetic field (2021) (3)
Molecular dynamics study of a monomeric heme undecapeptide of cytochromec (1995) (3)
Maximum probability domains for the analysis of the microscopic structure of liquids. (2014) (3)
Nonadiabatic molecular dynamics methods for diffusion (1998) (3)
Spontaneous 1 chiral symmetry breaking in model bacterial suspensions (2015) (3)
Quantum statistical dynamics with trajectories (2007) (3)
The quantum free energy barrier for hydrogen vacancy diffusion in Na3AlH6. (2012) (3)
Jarzynski on work and free energy relations: The case of variable volume (2020) (3)
Sense Experiences and “Necessary Simulations”: Four Centuries of Scientific Change from Galileo to Fundamental Computer Simulations (2020) (3)
Constrained and nonequilibrium molecular dynamics (1998) (3)
Simulating Reactions That Occur Once in a Blue Moon (2005) (3)
An introduction to the problem of bridging quantum and classical dynamics (2015) (3)
On the properties of a bundle of flexible actin filaments in an optical trap. (2016) (3)
Environmental Dynamics and Electron Transfer Reactions (1990) (3)
Simulation of polymers using realistic potentials (1995) (3)
Path integral based calculations of symmetrized time correlation functions. II. (2010) (3)
Molecular dynamics simulation of plastic adamantane: I. Structural properties (1985) (3)
Was Poincare a herald of quantum theory (1983) (2)
Editorial - Constraints: From physical principles to molecular simulations and beyond (2011) (2)
Introduction: Condensed Matter Theory by Computer Simulation (2006) (2)
Approximating Time-Dependent Quantum Statistical Properties (2013) (2)
Molecular dynamics simulation of rare events: Calculation of rate constants (1996) (2)
Probabilistic Derivation of Spatiotemporal Correlation Functions in the Hydrodynamic Limit. (2016) (2)
Compressible Convective Instability by Molecular Dynamics : Dedicated to Berni J. Alder(The 50th Anniversary of the Alder Transition -Recent Progress on Computational Statistical Physics-) (2009) (1)
Molecular Dynamics vs. Stochastic Processes: Are We Heading Anywhere? (2018) (1)
Ab initio accelerated molecular dynamics study of the hydride ligands in the ruthenium complex: Ru(H2)2H2(P(C5H9)3)2. (2019) (1)
Thermal average time correlation functions from non adiabatic MD: application to rate constants for condensed phase nnon adiabatic reactions (1998) (1)
The breakthrough of a quantum chemist by classical dynamics: Martin Karplus and the birth of computer simulations of chemical reactions (2021) (1)
Sum rules for π scattering in the backward direction (1969) (1)
Do We Have a Consistent Non-Adiabatic Quantum-Classical Statistical Mechanics? (2009) (1)
The breakthrough of a quantum chemist by classical dynamics: Martin Karplus and the birth of computer simulations of chemical reactions (2021) (1)
Jarzynski equality on work and free energy: Crystal indentation as a case study. (2022) (1)
Some consequences of sum rules in the dynamic scaling approach (1970) (1)
On computing the solubility of molecular systems subject to constraints using the extended Einstein crystal method. (2019) (1)
Round-table discussions on large-scale computations by non-equilibrium molecular dynamics: how far we can go? (1996) (0)
Molecular simulations: past, present, and future (a Topical Issue in EPJB) (2022) (0)
CECAM and the Development of Molecular Simulation (2020) (0)
Mapping Co Diffusion Paths in Myoglobin with the Single Sweep Method (2010) (0)
Effect of coarse graining in water models for the study of kinetics and mechanisms of clathrate hydrates nucleation and growth. (2023) (0)
Philosophical Transactions of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences: 362 (1821) (2004) (0)
Non-Equilibrium Constant Temperature Molecular Dynamics Study of the Atomic Diffusion in Glasses (1991) (0)
Nuclear quantum effects in electronic (non)adiabatic dynamics (2018) (0)
The emergence of protein dynamics simulations: how computational statistical mechanics met biochemistry (2022) (0)
The Growth of Molecular Dynamics (2020) (0)
Proceedings of the Euroconference on Computer Simulation and Molecular Dynamics of Condensed Matter Systems (1996) (0)
Recent Publications (1992) (0)
Formation of a compressible convective cell by dynamical non-equilibrium molecular dynamics (2009) (0)
Quantum Systems and Critical Phenomena (2020) (0)
The electric properties of ionic solutions: a molecular dynamics (preliminary) study (2011) (0)
The relation of science and the social order (1976) (0)
A Structural Model of the Human (cid:11) 7 Nicotinic Receptor in an Open Conformation (2019) (0)
Interfering with the Host-Pathogen Interaction of Bordetella Pertussis (2013) (0)
Structural and temporal basis for agonism in the α4β2 nicotinic acetylcholine receptor (2022) (0)
Particle-Based Modeling of Living Actin Filaments in an Optical Trap (2016) (0)
Molecular Simulation Arrives in Europe (2020) (0)
A New Science (2020) (0)
Exploring the conformational dynamics of a large molecule in solution using an external electric field: A nonequilibrium molecular dynamics simulation (2013) (0)
Simulation Comes of Age (2020) (0)
A First Finishing Line and Some Provisional Conclusions (2020) (0)
Non Linear Mass Transport in an Amorphous Model System Subjected to an External Perturbation: A Non-Equilibrium Molecular Dynamics Study (1991) (0)
Free energies for rare events: Temperature accelerated MD and MC (2015) (0)
Regularized Bennett and Zwanzig free energy estimators. (2023) (0)
Correction to: Molecular simulations: past, present, and future (a Topical Issue in EPJB) (2022) (0)
Theory and methods for rare events (2012) (0)
A rigorous observable for vacancy characterization and diffusion in crystals (2012) (0)
Temperature Accelerated Molecular Dynamics investigation of conformational changes in acetylcholine binding protein (2014) (0)
The Origins of Simulation (2020) (0)
The semiclassical limit of the intermediate scattering function (1996) (0)
Continuum mechanics from molecular dynamics via adiabatic time and length scale separation (2023) (0)
Feynman path centroid dynamics approach for the computation of time correlation functions involving nonlinear operators (2015) (0)
The Nonexistence of Nonlinear Laws for Simple Fluids by Nonequilibrium Molecular Dynamics (1990) (0)
Molecular-dynamics study of the atomic diffusion in glasses induced by an external perturbation (1988) (0)
Aims and objectives of molecular dynamics simulations (2015) (0)
Short range hydrogen diffusion in Na 3 AlH 6 (2011) (0)
On the establishment of thermal diffusion in binary Lennard-Jones liquids (2016) (0)
Author ' s personal copy Linearization approximations and Liouville quantum – classical dynamics (2009) (0)
Chiral symmetry breaking in model bacterial suspensions: mechanism and system size dependence (2015) (0)
Condensed matter theory by computer simulation: from materials to chemical biology features (2007) (0)
Berni Alder and the pioneering times of molecular simulation (2018) (0)
Molecular dynamics simulations of a new model of human a7 nicotinic receptor (2014) (0)
RESEARCH ARTICLE Electroless formation of silver nanoaggregates: an experimental and molecular dynamics approach (2014) (0)
An introduction to the problem of bridging quantum and classical dynamics (2015) (0)
Correction to: Molecular simulations: past, present, and future (a Topical Issue in EPJB) (2022) (0)
Brownian Dynamics of Chemical Reactions (1988) (0)
Feature article Simulating quantum dynamics in classical environments (2003) (0)

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