Hybrid atomistic simulation methods for materials systems

By Noam Bernstein, James R. Kermode, Gábor Csányi. 2009

165 citations recorded by the source corpus.

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

View Paper: https://www.semanticscholar.org/paper/11d721ba4cf039aef8b1bca9cf0421cf2f20215b

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. James R. Kermode
2. Peter Gumbsch
3. E. Bitzek
4. Sam Schoenholz
5. Alexander V. Shapeev

In Geophysics

1. James R. Kermode
2. Peter Gumbsch
3. E. Bitzek

In Materials Chemistry

1. James R. Kermode
2. E. Bitzek
3. Peter Gumbsch
4. Alexander V. Shapeev

Citations in the corpus

• Advances in nonequilibrium molecular dynamics simulations of lubricants and additives (2018, background): “This technique is commonly known as quantum mechanics/molecular mechanics (QM/MM), and is widely used in materials science [301, 302] and the natural sciences [303].”
• Atomistic aspects of fracture (2015, background): “For a detailed review of these “hybrid” multiscale simulations methods for materials problems see Bernstein et al. (2009).”