Giovanni Ciccotti

Research interests

Publications

• Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir

  Physical Review Letters · 2012 · 10.1103/physrevlett.108.170602

• On the assumptions underlying milestoning

  The Journal of Chemical Physics · 2008 · 10.1063/1.2996509

• Second-order integrators for Langevin equations with holonomic constraints

  Chemical Physics Letters · 2006 · 10.1016/j.cplett.2006.07.086

• String method in collective variables: Minimum free energy paths and isocommittor surfaces

  The Journal of Chemical Physics · 2006 · https://doi.org/10.1063/1.2212942

• Blue Moon Sampling, Vectorial Reaction Coordinates, and Unbiased Constrained Dynamics

  ChemPhysChem · 2005 · 10.1002/cphc.200400669

• Constant pressure-constant temperature molecular dynamics: a correct constrained NPT ensemble using the molecular virial

  Molecular Physics · 2003 · 10.1080/0026897021000044025

• Statistical mechanics of quantum-classical systems

  The Journal of Chemical Physics · 2001 · 10.1063/1.1400129

• Non-Hamiltonian molecular dynamics: Generalizing Hamiltonian phase space principles to non-Hamiltonian systems

  The Journal of Chemical Physics · 2001 · 10.1063/1.1378321

• Mixed quantum-classical surface hopping dynamics

  The Journal of Chemical Physics · 2000 · 10.1063/1.481225

• Mixed quantum-classical dynamics

  The Journal of Chemical Physics · 1999 · 10.1063/1.478811

• Free energy from constrained molecular dynamics

  The Journal of Chemical Physics · 1998 · https://doi.org/10.1063/1.477419

• Hoover NPT dynamics for systems varying in shape and size

  Molecular Physics · 1993 · https://doi.org/10.1080/00268979300100371

• Dynamics of ion pair interconversion in a polar solvent

  The Journal of Chemical Physics · 1990 · 10.1063/1.459437

• Constrained molecular dynamics and the mean potential for an ion pair in a polar solvent

  Chemical Physics · 1989 · 10.1016/0301-0104(89)80010-2

• Constrained reaction coordinate dynamics for the simulation of rare events

  Chemical Physics Letters · 1989 · https://doi.org/10.1016/s0009-2614(89)87314-2

• Molecular dynamics simulation of electron-transfer reactions in solution

  The Journal of Physical Chemistry · 1989 · 10.1021/j100354a001

• Molecular-dynamics study of surface premelting effects

  Physical review. B, Condensed matter · 1986 · 10.1103/physrevb.33.1860

• Molecular dynamics simulation of rigid molecules

  Computer Physics Reports · 1986 · 10.1016/0167-7977(86)90022-5

• Introduction of Andersen’s demon in the molecular dynamics of systems with constraints

  The Journal of Chemical Physics · 1983 · 10.1063/1.444728

• Stationary nonequilibrium states by molecular dynamics. Fourier's law

  Physical Review A · 1982 · 10.1103/physreva.25.2778

• Molecular dynamics of rigid systems in cartesian coordinates A general formulation

  Molecular Physics · 1982 · 10.1080/00268978200100942

• ?Thought-experiments? by molecular dynamics

  Journal of Statistical Physics · 1979 · 10.1007/bf01011477

• Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

  Journal of Computational Physics · 1977 · https://doi.org/10.1016/0021-9991(77)90098-5

• Transport properties of molten alkali halides

  Physical Review A · 1976 · 10.1103/physreva.13.426

• Direct Computation of Dynamical Response by Molecular Dynamics: The Mobility of a Charged Lennard-Jones Particle

  Physical Review Letters · 1975 · 10.1103/physrevlett.35.789

Current projects

No projects listed.