List of works by James C. Phillips

AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics

scientific article published on 20 November 2020

Accelerating molecular modeling applications with graphics processors

scientific article

Asymptotic behavior of dynamical correlations via perturbative analysis of infinite continued fractions

scientific article published on 01 May 1993

Atomic Detail Visualization of Photosynthetic Membranes with GPU-Accelerated Ray Tracing

scientific article published on July 2016

Atoms to Phenotypes: Molecular Design Principles of Cellular Energy Metabolism

scientific article published on 01 November 2019

Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems.

scientific article

Correcting Mesh-Based Force Calculations to Conserve Both Energy and Momentum in Molecular Dynamics Simulations

scientific article published in July 2007

Correction to Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems

scientific article published on 27 November 2018

Diffusive hysteresis at high and low driving frequencies

scientific article published on 01 September 1995

Early Experiences Porting the NAMD and VMD Molecular Simulation and Analysis Software to GPU-Accelerated OpenPOWER Platforms

scientific article published on 01 June 2016

Evaluation of Emerging Energy-Efficient Heterogeneous Computing Platforms for Biomolecular and Cellular Simulation Workloads

scientific article published on May 2016

GPU Computing

GPU clusters for high-performance computing

GPU/CPU Algorithm for Generalized Born/Solvent-Accessible Surface Area Implicit Solvent Calculations

scientific article

Generalized Scalable Multiple Copy Algorithms for Molecular Dynamics Simulations in NAMD.

scientific article

High-performance scalable molecular dynamics simulations of a polarizable force field based on classical Drude oscillators in NAMD

scientific article

Large scale simulation of protein mechanics and function

scientific article published on January 2003

Mapping to Irregular Torus Topologies and Other Techniques for Petascale Biomolecular Simulation

scientific article published on 01 January 2014

Molecular dynamics simulations of discoidal bilayers assembled from truncated human lipoproteins

scientific article

Multilevel summation method for electrostatic force evaluation

scientific article

Multiple-Replica Strategies for Free-Energy Calculations in NAMD: Multiple-Walker Adaptive Biasing Force and Walker Selection Rules

scientific article published on 26 November 2014

NAMD goes quantum: an integrative suite for hybrid simulations

scientific article published on 26 March 2018

Parallel Generalized Born Implicit Solvent Calculations with NAMD.

scientific article published on November 2011

Predicting the structure of apolipoprotein A-I in reconstituted high-density lipoprotein disks

scientific article

Quantifying the impact of GPUs on performance and energy efficiency in HPC clusters

QwikMD - Integrative Molecular Dynamics Toolkit for Novices and Experts

scientific article

Scalable Molecular Dynamics with NAMD on the Summit System

scientific article published on 01 November 2018

Scalable molecular dynamics on CPU and GPU architectures with NAMD ⬇️

scientific article published on 01 July 2020

Scalable molecular dynamics with NAMD

scientific article (publication date: December 2005)

Slow algebraic relaxation in quartic potentials and related results.

scientific article published in June 1999

The challenges of theory-software translation

scientific article published on 02 October 2020

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