Physics – Condensed Matter – Statistical Mechanics
Scientist
Physics
Condensed Matter
Statistical Mechanics
Scientist
An efficient Monte Carlo method for calculating ab initio transition state theory reaction rates in solution
Constructing smooth potentials of mean force, radial, distribution functions and probability densities from sampled data
Discontinuous Molecular Dynamics for Rigid Bodies: Applications
Discontinuous Molecular Dynamics for Semi-Flexible and Rigid Bodies
Efficient algorithms for rigid body integration using optimized splitting methods and exact free rotational motion
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