Parallel reactive molecular dynamics: Numerical methods and algorithmic techniques

By Hasan Metin Aktulga, Joseph C. Fogarty, Sagar A. Pandit, Ananth Y. Grama. Parallel Computing, 2012

957 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Materials Chemistry, Molecular Biology

View Paper: https://www.semanticscholar.org/paper/55fa647904ef9353774c0e571e4edc188325608b

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. I. Suarez-Martinez
2. C. Tomas
3. David Geissbühler
4. A. Kalinichev

In Materials Chemistry

1. I. Suarez-Martinez
2. C. Tomas
3. Robert J. Flatt
4. P. Bowen
5. A. Kalinichev
6. Hendrik Heinz
7. N. Marks
8. Adri C. T. van Duin

In Molecular Biology

1. A. Kalinichev
2. R. Pellenq

Citations in the corpus

• cemff: A force field database for cementitious materials including validations, applications and opportunities (2017, methodology): “The main codes with ReaxFF implementations are GULP [61], LAMMPS [144] and PuReMD [157].”
• Graphitization of amorphous carbons: A comparative study of interatomic potentials (2016, methodology): “This parameter set, known as ReaxFFC−2013, is available on request from the authors, and is compatible with the functional form in LAMMPS [60].”