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Research article

First published 2021-7

GPU-accelerated molecular dynamics: State-of-art software performance and porting from Nvidia CUDA to AMD HIP

Nikolay Kondratyuk, Vsevolod Nikolskiy, Daniil Pavlov [...]

The International Journal of High Performance Computing Applications

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Research article

First published 2026-3

Towards performance analysis of GPU-aware MPI over Angara interconnect

Timur Ismagilov, Anatoly Mukosey, Felix Smirnov [...]

The International Journal of High Performance Computing Applications

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Research article

First published 2024-1

GPU-based molecular dynamics of fluid flows: Reaching for turbulence

Daniil Pavlov, Vladislav Galigerov, Daniil Kolotinskii [...]

The International Journal of High Performance Computing Applications

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Research article

First published 2024-3

Mechanical optimization of an Al-Al 2 O 3 composite nanowire via molecular dynamics simulation and metaheuristic optimization

Mohammad Pakray, Sajad Hayati, Seyed Kamal Jalali

Proceedings of the Institution of Mechanical Engineers,Part N: Journal of Nanomaterials,Nanoengineering and Nanosystems

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Research article

First published 2024-11

Molecular dynamics simulation to investigate titanium metallization on sapphire for fiber optic-based pressure sensing application

Prabhat Ranjan, Shrinkhla Ghildiyal

Journal of Micromanufacturing

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Research article

First published 2023

Mechanism of surface modification on monocrystalline silicon during diamond polishing at nanometric scale

Prabhat Ranjan, Tribeni Roy, and Anuj Sharma

Journal of Micromanufacturing

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Other

First published 2023

Atomistic study on the effect of the size of diamond abrasive particle during polishing of stainless steel

Prabhat Ranjan, Anuj Sharma, Tribeni Roy

Journal of Micromanufacturing

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Research article

First published 2019-5

Angara interconnect makes GPU-based Desmos supercomputer an efficient tool for molecular dynamics calculations

Vladimir Stegailov, Ekaterina Dlinnova, Timur Ismagilov [...]

The International Journal of High Performance Computing Applications

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Research article

First published 2022-4

Determination of third order elastic constants from Morse potential for a Nitinol shape memory alloy

Dheeraj Kumar Gara, Srikar Potnuru, Gujjala Raghavendra [...]

Proceedings of the Institution of Mechanical Engineers,Part L: Journal of Materials: Design and Applications

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Research article

First published 2025-5

Influence of the shape of silica nanoparticles on the elastic properties and glass transition temperature of PLA-based nanocomposites: Molecular dynamics simulation

Mohammad Kazem Nikzad, Faramarz Ashenai Ghasemi, Farshid Aghadavoudi

Plastics,Rubber and Composites: Macromolecular Engineering

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