Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science
Anna I. Krylov(University of Southern California), Teresa Head‐Gordon, Robert J. Harrison(Pacific Northwest National Laboratory), Daniel G. A. Smith(Molecular Sciences Software Institute), Doaa Altarawy(Molecular Sciences Software Institute), Jessica A. Nash(Molecular Sciences Software Institute), Eliseo Marin‐Rimoldi(Molecular Sciences Software Institute), Vijay S. Pande(Stanford University), Shantenu Jha(Rutgers, The State University of New Jersey), T. Daniel Crawford(Virginia Tech), Cecilia Clementi(Center for Theoretical Biological Physics), Theresa L. Windus(Iowa State University), Benjamin P. Pritchard(Molecular Sciences Software Institute), Paul Saxe(Molecular Sciences Software Institute), Taylor Barnes(Molecular Sciences Software Institute)
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