P Bernát Szabó (Bernat Szabo)

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 6

Top Topics

Density Functional Theory

Machine Learning

Respiratory Syndrome Coronavirus

Drug Administration

Top Venues

Journal of chemical theory and computation

Inorganic chemistry

The Journal of chemical physics

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

P Bernát Szabó, Zeno Schätzle, Michael T Entwistle, Frank Noé
An Improved Penalty-Based Excited-State Variational Monte Carlo Approach with Deep-Learning Ansatzes. Journal of chemical theory and computation (2024)
P Bernát Szabó, József Csóka, Mihály Kállay, Péter R Nagy
Linear-Scaling Local Natural Orbital CCSD(T) Approach for Open-Shell Systems: Algorithms, Benchmarks, and Large-Scale Applications. Journal of chemical theory and computation (2023)
Liviu Ungur, P Bernát Szabó, Zeid Abdullah ALOthman, Abdullah A S Al-Kahtani, Liviu F Chibotaru
Mechanisms of Luminescence in Lanthanide Complexes: A Crucial Role of Metal-Ligand Covalency. Inorganic chemistry 61 (16) (2022)
P Bernát Szabó, József Csóka, Mihály Kállay, Péter R Nagy
Linear-Scaling Open-Shell MP2 Approach: Algorithm, Benchmarks, and Large-Scale Applications. Journal of chemical theory and computation 17 (5) (2021)
P Bernát Szabó, Francesc Sabanés Zariquiey, Juan J Nogueira
Cosolvent and Dynamic Effects in Binding Pocket Search by Docking Simulations. Journal of chemical information and modeling 61 (11) (2021)
Mihály Kállay, Péter R Nagy, Dávid Mester, Zoltán Rolik, Gyula Samu, József Csontos, József Csóka, P Bernát Szabó, László Gyevi-Nagy, Bence Hégely, István Ladjánszki, Lóránt Szegedy, Bence Ladóczki, Klára Petrov, Máté Farkas, Pál D Mezei, Ádám Ganyecz
The MRCC program system: Accurate quantum chemistry from water to proteins. The Journal of chemical physics 152 (7) (2020)