No Headache for PIPs: A PIP Potential for Aspirin Runs Much Faster and with Similar Precision Than Other Machine-Learned Potentials-Reference-Cited by-同舟云学术

No Headache for PIPs: A PIP Potential for Aspirin Runs Much Faster and with Similar Precision Than Other Machine-Learned Potentials

Author:

Houston Paul L.¹²^ORCID,Qu Chen³,Yu Qi⁴,Pandey Priyanka⁵^ORCID,Conte Riccardo⁶^ORCID,Nandi Apurba⁵⁷^ORCID,Bowman Joel M.⁵^ORCID

Affiliation:

1. Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853, United States

2. Department of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332, United States

3. Independent Researcher, Toronto, Ontario M9B0E3, Canada

4. Department of Chemistry, Fudan University, Shanghai 200438, P. R. China

5. Department of Chemistry, Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322, United States

6. Dipartimento di Chimica, Università degli Studi di Milano, via Golgi 19, 20133 Milano, Italy

7. Department of Physics and Materials Science, University of Luxembourg, Luxembourg City L-1511, Luxembourg

Funder

National Aeronautics and Space Administration

Publisher

American Chemical Society (ACS)

Link

Reference70 articles.

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