Thomas Pl'e

Improving Condensed Phase Water Dynamics with Explicit Nuclear Quantum Effects: the Polarizable Q-AMOEBA Force Field

J. Piquemal, S. Huppert, Louis Lagardère, 2022, 2206.13430.

Improving Condensed Phase Water Dynamics with Explicit Nuclear Quantum Effects: the Polarizable Q-AMOEBA Force Field

J. Piquemal, S. Huppert, Louis Lagardère, 2022, 2206.13430.

Improving Condensed-Phase Water Dynamics with Explicit Nuclear Quantum Effects: The Polarizable Q-AMOEBA Force Field.

J. Piquemal, Thomas Plé, S. Huppert, 2022, The journal of physical chemistry. B.

Scalable hybrid deep neural networks/polarizable potentials biomolecular simulations including long-range effects

Th'eo Jaffrelot Inizan, Pengyu Y. Ren, O. Isayev, 2022, Chemical science.