Forces in molecules.

By Jesús Hernández‐Trujillo, F. Cortés‐Guzmán, Dennis C. Fang, R. Bader. Faraday discussions, 2007

648 citations recorded by the source corpus.

Subfields: Astronomy and Astrophysics, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/956670fe8090c2391da9dac9d0fed411fc9a7e95

How researchers see this paper

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

In Astronomy and Astrophysics

1. ST John
2. Gábor Csányi

In Physical and Theoretical Chemistry

1. Rohit Batra
2. ST John
3. Jarrod R. McClean
4. Gábor Csányi
5. Nathan Wiebe
6. Rampi Ramprasad
7. Ryan Babbush

Citations in the corpus

• Machine Learning and Materials Informatics: Recent Applications and Prospects (2017, background): “These approaches are inspired by Feynman’s original idea that it should be possible to predict atomic forces given just the atomic configuration, without going through the agency of the total potential energy [95].”
• Low-Depth Quantum Simulation of Materials (2017, methodology): “The plane wave basis may then also benefit quantum simulations, which include the nuclear dynamics, since the forces may be computed via the Hellmann-Feynman theorem [111].”
• Density functional study of graphite bulk and surface properties (2006, methodology): “Atomic positions were relaxed to their ground state by minimizing their Hellman–Feynman forces [32,33] using the conjugate gradient algorithm such that all interatomic forces were less than 0.”
• Many-Body Coarse-Grained Interactions Using Gaussian Approximation Potentials. (2016, methodology): “Using the Hellman–Feynman theorem [5], we can calculate the forces from a quantummechanical description of the electrons.”