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Recent progress in conformational analysis
Lecture 1: Introduction to molecular simulation. An overview of molecular simulation and its application.
Rare event statistics in molecular dynamics
Stable long-time semiclassical description of zero-point energy in high-dimensional molecular systems
A Compliant Molecular Clutch Model for Kinetochore Motion Driven By Microtubule Disassembly
Using Diffusion Monte Carlo to investigate molecules that undergo large amplitude vibrational motions
Lecture 9: QM/MM in Molcas
Coupling the level-set method with variational implicit-solvent models for molecular solvation
Flexible control of the ensemble
Lecture 3: Molecular dynamics: foundations II. Geometric integrators and applications to molecular dynamics.
Lecture 5: Control of the ensemble. Controlling temperature and pressure in molecular dynamics.
Special topic 3. Computation of force fields for molecular simulation
Stochastic Modeling of Molecular Motors Across Scales
Coupled Cluster Approaches for Modeling Large Molecular Systems in Various Environments
Molecular recognition in life phenomena probed with the statistical mechanics of liquids
First-principles Molecular Dynamics for Petascale Computers
The X-Pol potential: an explicit polarization quantum mechanical force field for condensed phase and protein dynamics
Classical molecular dynamics simulations of the liquid water-gold interface
Concluding discussion
Benard convection by dynamical nonequilibrium molecular dynamics