Supercomputing for Molecular Dynamics Simulations Handling Multi-Trillion Particles in Nanofluidics

Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes From Bioinformatics to Molecular Quantum Mechanics

Trends in Nanoscale Mechanics Mechanics of Carbon Nanotubes, Graphene, Nanocomposites and Molecular Dynamics

Carbon Nanotubes as Nanodelivery Systems An Insight Through Molecular Dynamics Simulations

First Principles Modelling of Shape Memory Alloys Molecular Dynamics Simulations

Molecular Dynamics of Glass-Forming Systems Effects of Pressure

Charge and energy transfer dynamics in molecular systems

Introduction to practice of molecular simulation molecular dynamics, Monte Carlo, Brownian dynamics, Lattice Boltzmann, dissipative particle dynamics

Advances in the Theory of Atomic and Molecular Systems Dynamics, Spectroscopy, Clusters, and Nanostructures

Investigation on conformational changes of slow and fast forms of thrombin by molecular dynamics simulation = Investigation on conformational changes of slow and fast forms of thrombin by molecular dynamics simulation

Theories of molecular reaction dynamics the microscopic foundation of chemical kinetics

Numerical Simulation in Molecular Dynamics Numerics, Algorithms, Parallelization, Applications