1k citations · 3.1k across the 26 of their papers we have counts for
24 papers
Uncovering the role of the light-induced reduction of the inter-atomic exchange in the ultrafast demagnetization of Fe, Co, and Ni
Philippe Scheid, Julius Hohlfeld, Gregory Malinowski +6
Time resolved measurements of the linear magneto-optical Kerr rotation reveal that, in the {\it 3d} ferromagnets Fe, Co and Ni, the amplitude of the demagnetization increases linea…
Solving the Schrödinger Equation in the Configuration Space with Generative Machine Learning
B. Herzog, B. Casier, S. Lebègue +1
The configuration interaction approach provides a conceptually simple and powerful approach to solve the Schrödinger equation for realistic molecules and materials but is character…
Assessing the Accuracy of Machine Learning Thermodynamic Perturbation Theory: Density Functional Theory and Beyond
Basile Herzog, Mauricio Chagas da Silva, Bastien Casier +5
Machine learning thermodynamic perturbation theory (MLPT) is a promising approach to compute finite temperature properties when the goal is to compare several different levels of a…
Hybrid localized graph kernel for machine learning energy-related properties of molecules and solids
Bastien Casier, Mauricio Chagas da Silva, Michael Badawi +4
Nowadays, the coupling of electronic structure and machine learning techniques serves as a powerful tool to predict chemical and physical properties of a broad range of systems. Wi…
Bridging molecular dynamics and correlated wave-function methods for accurate finite-temperature properties
Dario Rocca, Anant Dixit, Michael Badawi +3
We introduce the "selPT" perturbative approach, based on ab initio molecular dynamics (AIMD), for computing accurate finite-temperature properties by efficiently using correlated w…
Moiré pattern interlayer potentials in van der Waals materials from random-phase approximation calculations
Nicolas Leconte, Jeil Jung, Sébastien Lebègue +1
Stacking-dependent interlayer interactions are important for understanding the structural and electronic properties in incommensurable two dimensional material assemblies where lon…