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End-to-End Differentiable Reactive Molecular Dynamics Simulations Using JAX.

, , , , , и . ISC, том 13948 из Lecture Notes in Computer Science, стр. 202-219. Springer, (2023)

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Metin Sabuncu

Quantum engineering of continuous variable quantum states. Uni Erlangen-Nürnberg, (2009)

Mustafa Metin

Mehmet Metin

Istabrak Hasan

Mahamudul Hasan

 

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Fast and scalable evaluation of pairwise potentials., , , , и . Comput. Phys. Commun., (2020)Data Analysis for Atomic Shapes in Nuclear Science., , , и . ICCS (2), том 11537 из Lecture Notes in Computer Science, стр. 219-233. Springer, (2019)Algorithmic and numerical techniques for atomistic modeling. Purdue University, USA, (2010)Efficient global optimization of reactive force-field parameters., , , и . J. Comput. Chem., 36 (20): 1550-1561 (2015)An Out-of-Core Task-based Middleware for Data-Intensive Scientific Computing., , , , и . Handbook on Data Centers, Springer, (2015)Scalable nuclear density functional theory with Sky3D., , и . Comput. Phys. Commun., (2018)Exploring Task Parallelism for the Multilevel Fast Multipole Algorithm., , , , и . HiPC, стр. 41-50. IEEE, (2020)A Portable Sparse Solver Framework for Large Matrices on Heterogeneous Architectures., , , и . HIPC, стр. 145-155. IEEE, (2022)End-to-End Differentiable Reactive Molecular Dynamics Simulations Using JAX., , , , , и . ISC, том 13948 из Lecture Notes in Computer Science, стр. 202-219. Springer, (2023)Topology-Aware Mappings for Large-Scale Eigenvalue Problems., , , , и . Euro-Par, том 7484 из Lecture Notes in Computer Science, стр. 830-842. Springer, (2012)