Concepedia

Théo Jaffrelot Inizan

TJ

4

Publications

87

Citations

4

H-Index

2022

Active since

Affiliations

Institut Parisien de Chimie Physique et Théorique(Current)

Laboratoire de Chimie Théorique

The University of Texas at Austin

Sorbonne Université

Lawrence Berkeley National Laboratory

Théo Jaffrelot Inizan is an author at Institut Parisien de Chimie Physique et Théorique specializing in molecular biophysics, natural sciences, and molecular simulation.

Top concepts

Publications per year

2022–2025

4

Publications

4

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

Théo Jaffrelot Inizan, Thomas Plé, Olivier Adjoua et al. · Chemical Science · 2023 · 40 citations · Full text

Atomate2: modular workflows for materials science

Alex M. Ganose, Hrushikesh Sahasrabuddhe, Mark Asta et al. · Digital Discovery · 2025 · 18 citations · Full text

An Efficient Gaussian-Accelerated Molecular Dynamics (GaMD) Multilevel Enhanced Sampling Strategy: Application to Polarizable Force Fields Simulations of Large Biological Systems

Frédéric Célerse, Théo Jaffrelot Inizan, Louis Lagardère et al. · Journal of Chemical Theory and Computation · 2022 · 16 citations

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Machine learned potential for high-throughput phonon calculations of metal—organic frameworks

Alin M. Elena, P.S. Kamath, Théo Jaffrelot Inizan et al. · npj Computational Materials · 2025 · 13 citations · Full text

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