Baptiste Bernard

CEA DES IRESNE DEC

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Scientific Discovery & Drug Design (1)Training Efficiency & Optimization (1)

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Luca Messina (1)Eiji Kawasaki (1)Emeric Bourasseau (1)

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May 27, 2026

May 27, 2026·also Paris-Saclay

Thermodynamic properties of chemically disordered compounds via AI-driven estimation of partition function with the PULSE method

AI can now estimate thermodynamic properties of complex materials with chemical disorder, rivaling traditional Monte Carlo methods in accuracy but with significantly reduced computational cost.

Baptiste Bernard, Luca Messina, Eiji Kawasaki +1

Scientific Discovery & Drug Design Training Efficiency & Optimization

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Baptiste Bernard

Research focus

Frequent co-authors

Papers (1)