Psi4NumPy: an Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development.
Daniel G. A. Smith,Lori A. Burns,Dominic A. Sirianni,Daniel R. Nascimento,Ashutosh Kumar,Andrew M. James,Jeffrey B. Schriber,Tianyuan Zhang,Boyi Zhang,Adam S. Abbott,Ericv J. Berquist,Marvin H. Lechner,Leonardo A. Cunha,Alexander G. Heide,Jonathan M. Waldrop,Tyler Y. Takeshita,Asem Alenaizan,Daniel Neuhauser,Rollin A. King,Andrew C. Simmonett,Justin M. Turney,Henry F. Schaefer,Francesco A. Evangelista,A. Eugene DePrince,T. Daniel Crawford,Konrad Patkowski,C. David Sherrill Journal of Chemical Theory and Computation（2018）
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Scientific Workflows,Regenerating Codes,Computational Research,Software Development
AI 理解论文
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