Trajectory Ensemble Methods Provide Single-Molecule Statistics for Quantum Dynamical Systems

Dodin, Amro; Provazza, Justin; Coker, David F.; Willard, Adam P.

doi:10.1021/acs.jctc.1c00477

Trajectory Ensemble Methods Provide Single-Molecule Statistics for Quantum Dynamical Systems

Journal Article · 01 March 2022 · Journal of Chemical Theory and Computation

DOI:https://doi.org/10.1021/acs.jctc.1c00477· OSTI ID:1977909

Dodin, Amro ^[1]; Provazza, Justin ^[2]; ^[3]; ^[1]

Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States
Department of Chemistry, Northwestern University, Evanston, Illinois 60208, United States; Department of Chemistry, Boston University, Boston, Massachusetts 02215, United States
Department of Chemistry, Boston University, Boston, Massachusetts 02215, United States

Not provided.

Research Organization:: Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Boston Univ., MA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0019998; SC0020437

OSTI ID:: 1977909

Journal Information:: Journal of Chemical Theory and Computation, Vol. 18, Issue 4; ISSN 1549-9618

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

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