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