Louis Lagardère

14PUBLICATIONS
20CO-AUTHORS
Theoretical quantum chemistryComputational chemistryProcess control and simulationBiomolecular modelling and designTransport properties and non-equilibrium processes
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Publications (14)

|Jun 06, 2026
Faster Molecular Dynamics with Neural Network Potentials via Distilled Multiple Time-Stepping and Nonconservative Forces.

|May 07, 2026
Dual-LAO for calculating fast and robust relative binding free energies of simple and complex transformations.

|Jan 21, 2026
Accelerating Molecular Dynamics Simulations with Foundation Neural Network Models Using Multiple Time Steps and Distillation.

Côme Cattin, Thomas Plé, Olivier Adjoua

|Oct 01, 2025
Targeting RNA with small molecules using state-of-the-art methods provides highly predictive affinities of riboswitch inhibitors.

Narjes Ansari, Chengwen Liu, Florent Hédin

|Jun 02, 2025
The Q-AMOEBA (CF) Polarizable Potential.

Nastasia Mauger, Thomas Plé, Louis Lagardère

|May 01, 2025
Lambda-ABF-OPES: Faster Convergence with High Accuracy in Alchemical Free Energy Calculations.

Narjes Ansari, Zhifeng Francis Jing, Antoine Gagelin

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Frequent Collaborators

13 joint publications

Jean-Philip Piquemal

4 joint publications

Jérôme Hénin

3 joint publications

Narjes Ansari

2 joint publications

Pier Paolo Poier