Evaluating the Accuracy of Hessian Approximations for Direct Dynamics Simulations-Reference-Cited by-同舟云学术

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Evaluating the Accuracy of Hessian Approximations for Direct Dynamics Simulations

Published:2012-11-28 Issue:1 Volume:9 Page:54-64
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Zhuang Yu¹,Siebert Matthew R.²,Hase William L.²,Kay Kenneth G.³,Ceotto Michele⁴

Affiliation:

1. Department of Computer Science, Texas Tech University, Lubbock, Texas 79409-3104, United States

2. Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409, United States

3. Department of Chemistry, Bar-Ilan University, Ramat-Gan 52900, Israel

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

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300573h

Reference105 articles.

1. Allen, M. D.; Tildesley, D. J.Computer Simulation of Liquids;Oxford, NY, 1987; pp71–108.

2. Computer Simulation of Proton Solvation and Transport in Aqueous and Biomolecular Systems

3. Born-Oppenheimer Direct Dynamics Classical Trajectory Simulations

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