ELSI — An open infrastructure for electronic structure solvers
Victor Wen‐zhe Yu, Carmen Campos, William Harbutt Dawson, Alberto Garcı́a, Ville Havu, B. Hourahine, William Huhn, Mathias Jacquelin, Weile Jia, Murat Keçeli, Raul Laasner, Yingzhou Li, Lin Lin, Jianfeng Lu, Jonathan E. Moussa, José E. Román, Álvaro Vázquez‐Mayagoitia, Chao Yang, Volker Blüm
Topics & Concepts
SolverComputer scienceComputational sciencePeriodic boundary conditionsScalingLinear scaleDiscretizationBenchmark (surveying)Boundary value problemMathematicsGeometryMathematical analysisGeodesyProgramming languageGeographyAdvanced Chemical Physics StudiesAmmonia Synthesis and Nitrogen ReductionMachine Learning in Materials Science