a Full Periodic Table Force Field for Molecular Mechanics and Molecular Dynamics Simulations

By A. K. Rappi, C. Casewit, K., S., Colwell, William A. Goddard III

How researchers see this paper

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

1. Shitong Luo
2. Minkai Xu
3. Chence Shi
4. Jian Tang
5. Tian Xie
6. Emiel Hoogeboom
7. Yuanqi Du
8. Regina Barzilay

Citations in the corpus

• Learning Gradient Fields for Molecular Conformation Generation (2021, methodology): “This is because RDKit incorporates an additional molecular force field (Rappé et al., 1992) to find equilibrium states of con- formations after the initial coordinates are generated.”
• Buried interface molecular hybrid for inverted perovskite solar cells (2024, unknown): “The interactions between the perovskite and SAMs used the universal force field 43 .”