Benchmark of ReaxFF force field for subcritical and supercritical water

Author:

Manzano Hegoi1ORCID,Zhang Weiwei2ORCID,Raju Muralikrishna3ORCID,Dolado Jorge S.4,López-Arbeloa Iñigo5,van Duin Adri C. T.2

Affiliation:

1. Department of Condensed Matter Physics, University of the Basque Country UPV/EHU, Barrio Sarriena s/n, 48940 Leioa, Spain

2. Department of Mechanical and Nuclear Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, USA

3. Department of Mechanical Engineering, Stanford University, Stanford, California 94305, USA

4. CiTG, TU, Delft, The Netherlands; Tecnalia Research and Innovation, Materials, Sustainable Construction Division, Donostia, Spain; and Donostia International Physics Center, Donostia, Spain

5. Department of Physical Chemistry, University of the Basque Country UPV/EHU, Barrio Sarriena s/n, 48940 Leioa, Spain

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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