Ab initio molecular dynamics: basic concepts, current trends and novel applications

By Mark E. Tuckerman. 2002

311 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics

View Paper: https://www.semanticscholar.org/paper/aea3104eed5e5898cc6f6925a51d1951040fe90e

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. Ivo Souza
2. Nicola Marzari
3. D. Vanderbilt
4. Arash A. Mostofi
5. Jonathan R. Yates
6. Zhiting Tian
7. Sangyeop Lee
8. Gang Chen

Citations in the corpus

• Maximally-localized Wannier Functions: Theory and Applications (2011, background): “E and surveyed in several reviews (Kirchner, 2007; Tse, 2002; Tuckerman, 2002; Tuckerman and Martyna, 2000).”
• Heat Transfer in Thermoelectric Materials and Devices (2013, methodology): “Ab initio MD simulations [120,121] use the forces computed onthe-fly by DFT and are computationally expensive, though.”