Physically Informed Machine Learning Prediction of Electronic Density of States | Chemistry of Materials
Various Consequences: Hybrid Parallelism Approaches for CFD
Learning local equivariant representations for large-scale atomistic dynamics | Nature Communications
GPU Lab D. Berényi – M. F. Nagy-Egri Lectures on Modern Scientific Programming Wigner RCP November 2015 Build Systems, Version Control, Integrated. - ppt download
scikit-rmt · PyPI
5106 PDFs | Review articles in GPU COMPUTING
GPU Day
Inverse design of two-dimensional materials with invertible neural networks | npj Computational Materials
Tweets with replies by Rojin Zandi (@RojinZandi) / Twitter
Quantum Mechanics/Molecular Mechanics Simulations on NVIDIA and AMD Graphics Processing Units | Journal of Chemical Information and Modeling
Molecular excited state calculations with adaptive wavefunctions on a quantum eigensolver emulation: reducing circuit depth and separating spin states ... - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/D1CP02227J
GPU Lab D. Berényi – M. F. Nagy-Egri Lectures on Modern Scientific Programming Wigner RCP November 2015 Build Systems, Version Control, Integrated. - ppt download
GitHub - Wigner-GPU-Lab/Teaching: Material used for teaching.
Harnessing the Power of Multi-GPU Acceleration into the Quantum Interaction Computational Kernel Program | Journal of Chemical Theory and Computation
GPU Lab D. Berényi – M. F. Nagy-Egri Lectures on Modern Scientific Programming Wigner RCP November 2015 Build Systems, Version Control, Integrated. - ppt download
Implementing Hastlayer support for Xilinx SoC Zynq FPGA family
Spectral Functions from Auxiliary-Field Quantum Monte Carlo without Analytic Continuation: The Extended Koopmans' Theorem Approach | Journal of Chemical Theory and Computation