gpumd (Molecular Dynamics Inc)
86
Structured Review
Molecular Dynamics Inc
gpumd
Gpumd, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/gpumd/gpumd/pm41770588-490-7-3
Average 86 stars, based on 1 article reviews
Gpumd, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/gpumd/gpumd/pm41770588-490-7-3
Average 86 stars, based on 1 article reviews
gpumd - by Bioz Stars,
2026-09
86/100 stars
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other:Article Title: A Multi-Scale Study on Deformation and Failure Process of Metallic Structures in Extreme Environment Article Snippet: As a comparative verification of atomic simulation, an alloy cantilever beam model flying with a hypersonic velocity through a gas environment is simulated using the Article Title: A Multi-Scale Study on Deformation and Failure Process of Metallic Structures in Extreme Environment. Article Snippet: I t is st , s t t t i t t r t r r ss r istri ti f t e tfl fiel . s a c arati e erificati f at ic si lati , a alloy cantilever bea o el flying ith a hypersonic velocity through a gas environ ent is simulated using the Article Title: Machine‐Learning‐Assisted Understanding of Depth‐Dependent Thermal Conductivity in Lithium Niobate Induced by Point Defects Article Snippet: Article Title: Machine Learning-Accelerated Path Integral Molecular Dynamics and 13 C NMR Simulations Unlock New Insights into Quantum Effects in C 60 Fullerene. Article Snippet: A definitive answer to the existence and magnitude of the negative thermal expansion (NTE) and the 13C nuclear magnetic resonance (NMR) signature in C60 fullerene has been previously demonstrated using quantum-mechanical treatments of thermal rovibrational motion.. This approach, while accurate, is computationally expensive, lacks the implementation of dispersion corrections, and is fundamentally limited to systems with welldefined equilibrium geometries and sufficiently strong restoring forces, making it inapplicable to weakly bound van der Waals complexes.. Alternative methods, such as ab initio path integral molecular dynamics (PIMD), are more flexible but remain computationally expensive, especially when combined with calculations of the 13C NMR parameters. Article Title: Thermal boundary conductance and thermal conductivity strongly depend on nearby environment Article Snippet: Article Title: Molecular dynamics simulations of heat transport using machine-learned potentials: A mini-review and tutorial on GPUMD with neuroevolution potentials Article Snippet: GPUMD,26 short for Article Title: Quasiballistic thermal transport in submicron-scale graphene nanoribbons at room-temperature Article Snippet: All MD simulations are performed with the |