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KohnSham time-dependent density functional theory with TammDancoff approximation on massively parallel GPUs
Nature
We report a high-performance multi graphics processing unit (GPU) implementation of the KohnSham time-dependent density functional theory (TDDFT) within the...
Pirms 18 mēnešiem
Harold "Bernie" Dobson Obituary 2021
Newcomer Toledo
Harold Bernie B. Dobson, age 78, resident of Ottawa Lake, Michigan, passed away and went to be with the Lord, on Friday, December 3, 2021, at Fresenius...
Pirms 36 mēnešiem
Un zgarie-nori inspirat de "Coloana Infinitului" a lui Constantin Brancusi a fost inaugurat in Shanghai
casepractice.ro
O cladire de birouri inaugurata recent in Shanghai, cel mai mare oras din China, a fost construita dupa Coloana Infinitului a lui Constantin...
Pirms 68 mēnešiem
Eagles fly high in home opener
Montgomery Independent
Montgomery Academy coach Gary Nelson may not have been happy with the slow start of his team against region foe Beulah, but he was well...
Pirms 63 mēnešiem
Rapidly predicting KohnSham total energy using data-centric AI
Nature
Predicting material properties by solving the Kohn-Sham (KS) equation, which is the basis of modern computational approaches to electronic...
Pirms 27 mēnešiem
Linear Jacobi-Legendre expansion of the charge density for machine learning-accelerated electronic structure calculations | npj Computational Materials
Nature
KohnSham density functional theory (KS-DFT) is a powerful method to obtain key materials' properties, but the iterative solution of the KS...
Pirms 18 mēnešiem
Informing geometric deep learning with electronic interactions to accelerate quantum chemistry
PNAS
Predicting electronic energies, densities, and related chemical properties can facilitate the discovery of novel catalysts, medicines, and battery materials...
Pirms 28 mēnešiem
Obituaries
Schmidt & Bartelt Funeral & Cremation Services
Patricia Knuth (nee Grimmer) passed away peacefully on Wednesday, May 21, 2020 at the age of 89 of congestive heart failure.
Pirms 54 mēnešiem
Application of two-component neural network for exchange-correlation functional interpolation
Nature
Density functional theory (DFT) is one of the primary approaches to solving the many-body Schrodinger equation. The essential part of the...
Pirms 27 mēnešiem
Large-scale distributed linear algebra with tensor processing units
PNAS
We demonstrate that Google TPUs, novel computer chips optimized for artificial intelligence, can also efficiently perform scientific computation at massive...
Pirms 28 mēnešiem