Density functional theory (DFT) is a cornerstone tool of modern physics, chemistry, and engineering used to explore the behavior of electrons. While essential in modeling systems with many electrons, ...
Supercomputer simulations are helping scientists discover new high-entropy alloys. XSEDE allocations on TACC's Stampede2 supercomputer supported density function theory calculations for largest ...
Hubballi: KLE Technological University hosted a two-day workshop on Density Functional Theory (DFT) in collaboration with Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Bengaluru, ...
Researchers from China University of Petroleum (East China), in collaboration with international partners, have reported a comprehensive review of ...
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