Automated Parameterization of Quantum Mechanically Derived Force Fields for Soft Materials and Complex Fluids: Development and Validation-Reference-Cited by-同舟云学术

Automated Parameterization of Quantum Mechanically Derived Force Fields for Soft Materials and Complex Fluids: Development and Validation

Author:

Vilhena J. G.¹^ORCID,Greff da Silveira Leandro²,Livotto Paolo Roberto²,Cacelli Ivo³,Prampolini Giacomo⁴^ORCID

Affiliation:

1. Department of Physics, University of Basel, Klingelbergstrasse 82, 4056 Basel, Switzerland

2. Instituto de Química, Universidade Federal do Rio Grande do Sul, Avenida Bento Gonçalves 9500, CEP 91501-970 Porto Alegre, Brazil

3. Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via G. Moruzzi 13, I-56124 Pisa, Italy

4. Istituto di Chimica dei Composti OrganoMetallici, ICCOM-CNR, Area della Ricerca, via G. Moruzzi 1, I-56124 Pisa, Italy

Funder

Schweizerischer Nationalfonds zur F??rderung der Wissenschaftlichen Forschung

H2020 Marie Sk??odowska-Curie Actions

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

Reference113 articles.

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