GCMe: Efficient Implementation of the Gaussian Core Model with Smeared Electrostatic Interactions for Molecular Dynamics Simulations of Soft Matter Systems. [PDF]
J Chem Theory ComputYe BB, Chen S, Wang ZG.
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An efficient parallelization technique for the coupled problems of fluid, gas and plasma mechanics in the grid environment. [PDF]
Sci RepZinchenko A +4 more
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Distributed Implementation of Full Configuration Interaction for One Trillion Determinants. [PDF]
J Chem Theory ComputGao H, Imamura S, Kasagi A, Yoshida E.
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MPI-parallelization of the grid inhomogeneous solvation theory calculation. [PDF]
J Comput ChemRoe DR, Brooks BR.
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OpenQP: A Quantum Chemical Platform Featuring MRSF-TDDFT with an Emphasis on Open-Source Ecosystem. [PDF]
J Chem Theory ComputMironov V +12 more
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Fast barcode calling based on <i>k</i>-mer distances. [PDF]
PNAS NexusUphoff RC +3 more
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Editorial: Cybersecurity and artificial intelligence: advances, challenges, opportunities, threats. [PDF]
Front Big DataPapadopoulos P +2 more
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Image Processing Hardware Acceleration-A Review of Operations Involved and Current Hardware Approaches. [PDF]
J ImagingVasile CE, Ulmămei AA, Bîră C.
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ASH: A Multi-Scale, Multi-Theory Modeling Program. [PDF]
J Comput ChemBjornsson R.
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