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Algorithms for adaptively restrained molecular dynamicsModeling and Simulation. Université Grenoble Alpes, 2017. English. ⟨NNT : 2017GREAM067⟩
Thèse
tel-01942596v2
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Single-pass Incremental Force Updates for Adaptively Restrained Molecular DynamicsJournal of Computational Chemistry, 2018, 39 (8), pp.412-423. ⟨10.1002/jcc.25126⟩
Article dans une revue
hal-01635863v1
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Adaptively Restrained Molecular Dynamics in LAMMPSModelling and Simulation in Materials Science and Engineering, 2017, 25 (5), pp.055013. ⟨10.1088/1361-651X/aa7345⟩
Article dans une revue
hal-01525253v1
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Parallel Adaptively Restrained Molecular Dynamics2017 International Conference on High Performance Computing & Simulation (HPCS), Jul 2017, Genova, Italy. pp.308 - 314, ⟨10.1109/HPCS.2017.55⟩
Communication dans un congrès
hal-01591466v1
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