Two-dimensional topological materials(2D TMs)have a variety of properties that make them attractive for applications including spintronics and quantum computation.However,there are only a few such experimentally known...
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Two-dimensional topological materials(2D TMs)have a variety of properties that make them attractive for applications including spintronics and quantum computation.However,there are only a few such experimentally known materials.To help discover new 2D TMs,we develop a unified and computationally inexpensive approach to identify magnetic and non-magnetic 2D TMs,including gapped and semi-metallic topological classifications,in a high-throughput way using density functional theory-based spin–orbit spillage,Wannier-interpolation,and related techniques.
The Joint Automated Repository for Various Integrated Simulations(JARVIS)is an integrated infrastructure to accelerate materials discovery and design using density functional theory(DFT),classical force-fields(FF),and...
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The Joint Automated Repository for Various Integrated Simulations(JARVIS)is an integrated infrastructure to accelerate materials discovery and design using density functional theory(DFT),classical force-fields(FF),and machine learning(ML)techniques.JARVIS is motivated by the Materials Genome Initiative(MGI)principles of developing open-access databases and tools to reduce the cost and development time of materials discovery,optimization,and deployment.
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