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Molecular modeling on GPUs

Known as: Molecular modeling on GPU, OpenMM 
Molecular modeling on GPU is the technique of using a graphics processing unit (GPU) for molecular simulations. In 2007, NVIDIA introduced video… 
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Related topics

Related topics

29 relations
AbaloneApplication programming interfaceAssisted Model Building with Energy Refinement (AMBER)BigDFT

Broader (3)

Computational chemistryMolecular dynamicsMolecular modelling

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2017
2017
Surfactant Modeling in OpenMM
2015
2015
Improved OpenMM algorithms for CUDA and OpenCL using new stochastic dynamics and the Berendsen thermostat
The simulations done in molecular dynamics (MD) are used to learn about the behavior of macromolecular systems. While analyzing… 
2014
2014
Quantum effects in molecular systems
This thesis presents two different approaches and applications where nuclear dynamics are treated quantum mechanically in order… 
2013
2013
Title Accelerated molecular dynamics simulations with the AMOEBA polarizable force field on graphics processing units Permalink
The accelerated molecular dynamics (aMD) method has recently been shown to enhance the sampling of biomolecules in molecular… 
2012
2012
Path Integral Approaches and Graphics Processing Unit Tools for Quantum Molecular Dynamics Simulations
This thesis details both the technical and theoretical aspects of performing path integrals through classical Molecular Dynamics… 
2011
2011
Accelerated molecular dynamics simulation using multi-core CPU and GPU: Accelerated molecular dynamics simulation using multi-core CPU and GPU