P. Bernát Szabó

According to our database, P. Bernát Szabó authored at least 5 papers between 2021 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2026

Enabling ab initio geometry optimization of strongly correlated systems with transferable deep quantum Monte Carlo.

P. Bernát Szabó, Zeno Schätzle, Frank Noé

CoRR, March, 2026

2025

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking.

Adam Foster, Zeno Schätzle, P. Bernát Szabó, Lixue Cheng, Jonas Köhler, Gino Cassella, Nicholas Gao, Jiawei Li, Frank Noé, Jan Hermann

CoRR, June, 2025

Ab-initio simulation of excited-state potential energy surfaces with transferable deep quantum Monte Carlo.

Zeno Schätzle, P. Bernát Szabó, Alice Cuzzocrea, Frank Noé

CoRR, March, 2025

2024

Highly Accurate Real-space Electron Densities with Neural Networks.

Lixue Cheng, P. Bernát Szabó, Zeno Schätzle, Derk P. Kooi, Jonas Köhler, Klaas J. H. Giesbertz, Frank Noé, Jan Hermann, Paola Gori-Giorgi, Adam Foster

CoRR, 2024

2021

Cosolvent and Dynamic Effects in Binding Pocket Search by Docking Simulations.

P. Bernát Szabó, Francesc Sabanés Zariquiey, Juan J. Nogueira

J. Chem. Inf. Model., 2021