Thermodynamics/Molecular modeling

Actualité | 14/08/2024

Machine learning accelerates access to high-precision data for chemistry via ab initio molecular dynamics

Actualité | 14/08/2024

How pH influences ion transport dynamics in porous media

Actualité | 13/08/2024

Understanding the causes of corrosion through molecular modelling - Application to stainless steels in CO2 environments -

Actualité | 18/03/2024

Microfluidics et chemoinformatics : complementary approaches to access thermal conductivity !

Actualité | 05/01/2024

The origins of natural hydrogen emissions deep within our continents: the veil is lifted

Brèves | 22/11/2023

Deep learning in the field of thermodynamics

Actualité | 08/11/2023

The thermodynamics of electrolytes gets a boost from Europe

Brèves | 10/05/2023

SC6 - How to better control loss of lithium battery capacity

Brèves | 20/01/2023

The in silico creation of molecular structures

Brèves | 08/12/2022

Electrolyte thermodynamics at IFPEN

Brèves | 08/12/2022

Materials for energy, a scale transition for an energy transition

Brèves | 19/10/2022

Cheminformatics and its descriptors: application to polymer/fluid compatibility