Örs Legeza

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 6

Top Topics

Molecular Dynamics Simulations

Gold Nanoparticles

Energy Transfer

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry. A

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

Publications

Andor Menczer, Maarten van Damme, Alan Rask, Lee Huntington, Jeff R Hammond, Sotiris S Xantheas, Martin Ganahl, Örs Legeza
Parallel Implementation of the Density Matrix Renormalization Group Method Achieving a Quarter petaFLOPS Performance on a Single DGX-H100 GPU Node. Journal of chemical theory and computation (2024)
Gero Friesecke, Gergely Barcza, Örs Legeza
Predicting the FCI Energy of Large Systems to Chemical Accuracy from Restricted Active Space Density Matrix Renormalization Group Calculations. Journal of chemical theory and computation 20 (1) (2023)
Gero Friesecke, Gergely Barcza, Örs Legeza
Predicting the FCI Energy of Large Systems to Chemical Accuracy from Restricted Active Space Density Matrix Renormalization Group Calculations. Journal of chemical theory and computation (2023)
Gergely Barcza, Miklós Antal Werner, Gergely Zaránd, Anton Pershin, Zsolt Benedek, Örs Legeza, Tibor Szilvási
Toward Large-Scale Restricted Active Space Calculations Inspired by the Schmidt Decomposition. The journal of physical chemistry. A 126 (51) (2022)
Gergely Barcza, Miklós Antal Werner, Gergely Zaránd, Anton Pershin, Zsolt Benedek, Örs Legeza, Tibor Szilvási
Toward Large-Scale Restricted Active Space Calculations Inspired by the Schmidt Decomposition. The journal of physical chemistry. A (2022)
Gergely Barcza, Viktor Ivády, Tibor Szilvási, Márton Vörös, Libor Veis, Ádám Gali, Örs Legeza
DMRG on Top of Plane-Wave Kohn-Sham Orbitals: A Case Study of Defected Boron Nitride. Journal of chemical theory and computation 17 (2) (2021)