Fast Parallel Algorithms for Short-Range Molecular Dynamics

1995/03/01 by Steven J. Plimpton, Steve Plimpton · 44,916 citations
Computer Science · #Algorithm #Algorithms and Data Compression #Benchmark (surveying) #Computational science #Computer science #Intel iPSC #Molecular dynamics #Network Packet Processing and Optimization #Node (physics) #Parallel Computing and Optimization Techniques #Parallel algorithm #Parallel computing #Physics #Range (aeronautics) #Supercomputer

paper · doi:10.1006/jcph.1995.1039

published in Journal of Computational Physics 117(1), 1-19 (Elsevier BV)

openalex publication_date 1995/03/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05

Citations

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• Energy of low angle grain boundaries based on continuum dislocation structure
• Uncovering the roughness effect on inelastic phonon scattering and thermal conductance at interface via spectral energy exchange
• Data-Driven Molecular Dynamics and TEM Analysis of Crystal Growth and Hydrogen Sensing in Pt-Functionalized Graphene Chemiresistive Sensors
• Derivation of coarse-grained potentials via multistate iterative Boltzmann inversion. [europepmc]
• Overview of the SAMPL5 host-guest challenge: Are we doing better? [europepmc]
• Force-Field Prediction of Materials Properties in Metal-Organic Frameworks. [europepmc]
• Polymorphic regenerated silk fibers assembled through bioinspired spinning. [europepmc]
• Profilin reduces aggregation and phase separation of huntingtin N-terminal fragments by preferentially binding to soluble monomers and oligomers. [europepmc]
• Sequence determinants of protein phase behavior from a coarse-grained model. [europepmc]
• Perturbations of Native Membrane Protein Structure in Alkyl Phosphocholine Detergents: A Critical Assessment of NMR and Biophysical Studies. [europepmc]
• Biomimetic temporal self-assembly via fuel-driven controlled supramolecular polymerization. [europepmc]
• Rapid transport of deformation-tuned nanoparticles across biological hydrogels and cellular barriers. [europepmc]
• Computational Modeling of Realistic Cell Membranes. [europepmc]
• Temperature-Controlled Liquid-Liquid Phase Separation of Disordered Proteins. [europepmc]
• Predicting three-dimensional genome organization with chromatin states. [europepmc]
• Chromosome dynamics near the sol-gel phase transition dictate the timing of remote genomic interactions. [europepmc]
• The hidden structure of human enamel. [europepmc]
• Elastic straining of free-standing monolayer graphene. [europepmc]
• Ultrasensitive detection of nucleic acids using deformed graphene channel field effect biosensors. [europepmc]
• Dynamic metastable long-living droplets formed by sticker-spacer proteins. [europepmc]
• Reentrant liquid condensate phase of proteins is stabilized by hydrophobic and non-ionic interactions. [europepmc]
• Nucleosome plasticity is a critical element of chromatin liquid-liquid phase separation and multivalent nucleosome interactions. [europepmc]
• Free energy of proton transfer at the water-TiO 2 interface from ab initio deep potential molecular dynamics. [europepmc]
• Iron atom-cluster interactions increase activity and improve durability in Fe-N-C fuel cells. [europepmc]
• Hypocrystalline ceramic aerogels for thermal insulation at extreme conditions. [europepmc]
• Physics-driven coarse-grained model for biomolecular phase separation with near-quantitative accuracy. [europepmc]
• High-performance piezoelectric composites via β phase programming. [europepmc]
• DeePMD-kit v2: A software package for deep potential models. [europepmc]