7 citations · 8 across the 5 of their papers we have counts for
5 papers
Targeting the partition function of chemically disordered materials with a generative approach based on inverse variational autoencoders
Maciej J. Karcz, Luca Messina, Eiji Kawasaki +1
Computing atomic-scale properties of chemically disordered materials requires an efficient exploration of their vast configuration space. Traditional approaches such as Monte Carlo…
Semi-supervised generative approach to point-defect formation in chemically disordered compounds: application to uranium-plutonium mixed oxides
Maciej J. Karcz, Luca Messina, Eiji Kawasaki +3
Machine-learning methods are nowadays of common use in the field of material science. For example, they can aid in optimizing the physicochemical properties of new materials, or he…
Effect of cationic chemical disorder on defect formation energies in uranium-plutonium mixed oxides
Didier Bathellier, Luca Messina, Michel Freyss +5
At the atomic scale, uranium-plutonium mixed oxides (U,Pu)O_2 are characterized by cationic chemical disorder, which entails that U and Pu cations are randomly distributed on the c…
Microscopic calculations of Hugoniot curves of neat TATB and of its detonation products
Emeric Bourasseau, Jean-Bernard Maillet, Nicolas Desbiens +1
We compute the Hugoniot curves of both neat TATB and its detonation products mixture using atomistic simulation tools. To compute the Hugoniot states, we adapted our "Sampling Cons…
Constant entropy sampling and release waves of shock compressions
Jean-Bernard Maillet, Emeric Bourasseau, Laurent Soulard +2
We present several equilibrium methods that allow to compute isentropic processes, either during the compression or the release of the material. These methods are applied to comput…