Peter Nagy

Budapest University of Technology and Economics

Research Interests

Explore related searches

Contact this professor

Google Scholar

Articles (17)

Collaborators (3)

Andrea Zen

Università degli Studi di Napoli Federico II

Mihály Kállay

Budapest University of Technology and Economics

Zoltán Benkő

Budapest University of Technology and Economics

Peter Nagy

Research Interests

Explore related searches

Contact this professor

Articles (17)

Collaborators (3)

Andrea Zen

Mihály Kállay

Zoltán Benkő

How do I reach out?

Meet Kite AI

Peter Nagy

Research Interests

Explore related searches

Contact this professor

Articles (17)

Combining state-of-the-art quantum chemistry and machine learning make gold standard potential energy surfaces accessible for medium-sized molecules

Development of analytic gradients for the Huzinaga quantum embedding method and its applications to large-scale hybrid and double hybrid DFT forces

Polarizable AMOEBA Model for Simulating Mg<sup>2+</sup>·Protein·Nucleotide Complexes

Basis Set Limit CCSD(T) Energies for Extended Molecules via a Reduced-Cost Explicitly Correlated Approach

Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments

Linear-Scaling Local Natural Orbital CCSD(T) Approach for Open-Shell Systems: Algorithms, Benchmarks, and Large-Scale Applications

Pursuing the basis set limit of CCSD(T) non-covalent interaction energies for medium-sized complexes: case study on the S66 compilation

Stability of Carbocyclic Phosphinyl Radicals: Effect of Ring Size, Delocalization, and Sterics

Accurate Reduced-Cost CCSD(T) Energies: Parallel Implementation, Benchmarks, and Large-Scale Applications

Basis set truncation corrections for improved frozen natural orbital CCSD(T) energies

Interactions between large molecules pose a puzzle for reference quantum mechanical methods

Linear-Scaling Open-Shell MP2 Approach: Algorithm, Benchmarks, and Large-Scale Applications

Methyl-Induced Polarization Destabilizes the Noncovalent Interactions of N-Methylated Lysines

Size-consistent explicitly correlated triple excitation correction

Improved description of ligand polarization enhances transferability of ion-ligand interactions

Integral-Direct and Parallel Implementation of the CCSD(T) Method: Algorithmic Developments and Large-Scale Applications

The MRCC program system: Accurate quantum chemistry from water to proteins

Collaborators (3)

Andrea Zen

Mihály Kállay

Zoltán Benkő

How do I reach out?

Meet Kite AI