- Centre National de la Recherche ScientifiqueFR4 papers
- Sorbonne UniversitéFR4 papers
- Qubit PharmaceuticalsFR3 papers
- Université Paris CitéFR2 papers
- Advanced PharmaUS1 paper
- Centre National d'Études SpatialesFR1 paper
- Centro de Investigaciones Energéticas, Medioambientales y TecnológicasES1 paper
- École Polytechnique Fédérale de LausanneCH1 paper
- Institut de Recherche en Astrophysique et PlanétologieFR1 paper
- Institut d'Estudis Espacials de CatalunyaES1 paper
- Institute of Space SciencesES1 paper
- Institut Universitaire de FranceFR1 paper
6 papers
Exact solution of the Glauber-Ising model on the finite-length semi-open chain
Malte Henkel
The exact time-space correlation function of the Glauber-Ising model, quenched to temperature and on a semi-open lattice of finite size , is obtained. This also allow…
Probing gravity with non-linear clustering in redshift space
C. Viglione, P. Fosalba, I. Tutusaus +4
We present the first computation of the gravity model testing parameter on realistic simulated modified gravity galaxy mocks. The analysis is conducted using two twin simulat…
Faster Molecular Dynamics with Neural Network Potentials via Distilled Multiple Time-Stepping and Non-Conservative Forces
Nicolaï Gouraud, Côme Cattin, Thomas Plé +3
Following our previous work (J. Phys. Chem. Lett., 2026, 17, 5, 1288-1295), we propose the DMTS-NC approach, a distilled multi-time-step (DMTS) strategy using non-conservative (NC)…
Quantum Circuits for the Metropolis-Hastings Algorithm
Baptiste Claudon, Pablo Rodenas-Ruiz, Jean-Philip Piquemal +1
Szegedy's quantization of a reversible Markov chain provides a quantum walk whose spectral gap is quadratically larger than that of the classical walk. Quantum computers are theref…
Dual-LAO for calculating fast and robust relative binding free energies of simple and complex transformations
Narjes Ansari, Félix Aviat, Jérôme Hénin +2
Relative Binding Free Energy (RBFE) calculations are a cornerstone of rational hit-to-lead and lead optimization in modern drug discovery. However, the high computational cost and…
Geometry-Based Neural-Network Prediction of Electron Localization Function Topology in Dense Hydrogen
Xiaoyu Wang, Miriam Marqués, Sergio Gómez +3
We develop a machine-learning framework to predict the electron localization function (ELF) of pure, dense hydrogen directly from atomic geometry, bypassing explicit electronic-str…