373 results on '"Ciccotti,G"'
Search Results
2. Molecular simulations: past, present, and future (a Topical Issue in EPJB)
3. Mass-Zero constrained dynamics and statistics for the shell model in magnetic field
4. Regularized Bennett and Zwanzig free energy estimators
5. Trajectory Based Simulations of Quantum-Classical Systems
6. Mass-zero constrained molecular dynamics for electrode charges in simulations of electrochemical systems.
7. Quantum Statistical Dynamics with Trajectories
8. Transport Coefficients of Quantum-Classical Systems
9. Introduction: Condensed Matter Theory by Computer Simulation
10. On the establishment of thermal diffusion in binary Lennard-Jones liquids
11. Free energies for rare events: Temperature accelerated MD and MC
12. An introduction to the problem of bridging quantum and classical dynamics
13. The trees and the forest: Aims and objectives of molecular dynamics simulations
14. Correction to: Molecular simulations: past, present, and future (a Topical Issue in EPJB) (The European Physical Journal B, (2022), 95, 1, (3), 10.1140/epjb/s10051-021-00249-x)
15. An introduction to the problem of bridging quantum and classical dynamics
16. Theoretical Foundation and Rheological Application of Non-Equilibrium Molecular Dynamics
17. Molecular Dynamics Simulations of Nonequilibrium Phenomena and Rare Dynamical Events
18. Free energies for rare events: Temperature accelerated MD and MC
19. Theory and methods for rare events
20. Coarse-graining stiff bonds
21. On two possible definitions of the free energy for collective variables
22. Editorial - Constraints: From physical principles to molecular simulations and beyond
23. A new boundary driven NEMD scheme for heat and particle diffusion in binary mixtures
24. Trotter derived algorithms for molecular dynamics with constraints: Velocity Verlet revisited
25. Hydration of β-cyclodextrin: A molecular dynamics simulation study
26. Quantum Statistical Dynamics with Trajectories
27. Theoretical Foundation and Rheological Application of Non-Equilibrium Molecular Dynamics
28. Rare events by constrained molecular dynamics
29. Path integral based calculations of symmetrized time correlation functions. I.
30. Transient hydrodynamical behavior by dynamical nonequilibrium molecular dynamics: The formation of convective cells.
31. The electric properties of ionic solutions: a molecular dynamics (preliminary) study
32. Molecular Dynamics Simulation of a Liquid-Liquid Interface
33. Molecular dynamics simulations of a new model of human a7 nicotinic receptor
34. Conformational Changes in Acetylcholine Binding Protein Investigated by Temperature Accelerated Molecular Dynamicscottone
35. Ab initio simulation of carbon clustering on an Ni(111) surface: A model of the poisoning of nickel-based catalysts
36. Acceleration of the AChBP conformational transition using Temperarure Accelerated Molecular Dynamics
37. Atomic stress isobaric scaling for systems subjected to holonomic constraints.
38. Two-dimensional orientational motion as a multichannel reaction by computer simulation.
39. Thermal conductivity of the Lennard-Jones liquid by molecular dynamics calculations.
40. Introduction of Andersen's demon in the molecular dynamics of systems with constraints.
41. Exploring the dynamics of AChBP unbound and bound to the Lobeline partial agonist
42. Computational Modeling of Geminate Recombination and Energy Relaxation of Nitric Oxide in Myoglobin under Constant Illumination
43. Ricostruzione del panorama di energia libera per il processo di diffusione del CO all'interno della mioglobina IES08, Maggio 08
44. Abinitio simulation of carbon clustering on an Ni(111) surface: a model of the poisoning of nichel-based catalysts
45. Atomic mean square displacements in proteins by Molecular Dynamics: a case for analysis of variance
46. “Thought-experiments” by molecular dynamics
47. Canonical ensemble and nonequilibrium states by molecular dynamics
48. On the derivation of the generalized Langevin equation for interacting Brownian particles
49. Sum rules for π scattering in the backward direction
50. Equilibrium states of an Ising ferromagnet in the low temperature region
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