Péter G Szalay

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 18

Top Venues

Journal of chemical theory and computation

Journal of computational chemistry

The journal of physical chemistry letters

The Journal of chemical physics

ELTE Eötvös Loránd University

Universität Wien (PHD)

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

Affiliation History

ELTE Eötvös Loránd University

Hungary

professor of chemistry :: Institute of Chemistry

University of Florida

United States

visiting professor :: Quantum Theory Project

University of Texas at Austin

United States

visiting professor (Fulbright Fellow) :: Department of Chemistry

Johannes Gutenberg Universitat Mainz

Germany

Wissentschafliche Mitarbeiter :: Institute für Physikalische Chemie

University of Florida

United States

postdoctoral associate :: Quantum Theory Project

Education History

Universität Wien

Austria

PHD :: Institute für Theoretical Chemistry

Eötvös Loránd Tudományegyetem

Hungary

MSC

Publications

Dávid P Jelenfi, Attila Tajti, Péter G Szalay
Interpretation of molecular electron transport in ab initio many-electron framework incorporating zero-point nuclear motion effects. Journal of computational chemistry (2024)
Dávid P Jelenfi, Attila Tajti, Péter G Szalay
Interpretation of molecular electron transport in ab initio many-electron framework incorporating zero-point nuclear motion effects. Journal of computational chemistry 45 (23) (2024)
Ahmed Shaalan Alag, Péter G Szalay, Attila Tajti
Ab initio investigation of excited state charge transfer pathways in differently capped bithiophene cages. Journal of computational chemistry 45 (14) (2024)
Ádám B Szirmai, Bence Hégely, Attila Tajti, Mihály Kállay, Péter G Szalay
Projected Atomic Orbitals As Optimal Virtual Space for Excited State Projection-Based Embedding Calculations. Journal of chemical theory and computation 20 (9) (2024)
Ádám B Szirmai, Bence Hégely, Attila Tajti, Mihály Kállay, Péter G Szalay
Projected Atomic Orbitals As Optimal Virtual Space for Excited State Projection-Based Embedding Calculations. Journal of chemical theory and computation (2024)
Ahmed Shaalan Alag, Péter G Szalay, Attila Tajti
Ab initio investigation of excited state charge transfer pathways in differently capped bithiophene cages. Journal of computational chemistry (2024)
Bónis Barcza, Ádám B Szirmai, Attila Tajti, John F Stanton, Péter G Szalay
Benchmarking Aspects of Ab Initio Fragment Models for Accurate Excimer Potential Energy Surfaces. Journal of chemical theory and computation (2023)
Bónis Barcza, Ádám B Szirmai, Judit Katalin Szántó, Attila Tajti, Péter G Szalay
Comparison of approximate intermolecular potentials for ab initio fragment calculations on medium sized N-heterocycles. Journal of computational chemistry 43 (16) (2022)
Ahmed Shaalan Alag, Dávid P Jelenfi, Attila Tajti, Péter G Szalay
Accurate Prediction of Vertical Ionization Potentials and Electron Affinities from Spin-Component Scaled CC2 and ADC(2) Models. Journal of chemical theory and computation 18 (11) (2022)
Bence Hégely, Ádám B Szirmai, Dávid Mester, Attila Tajti, Péter G Szalay, Mihály Kállay
Performance of Multilevel Methods for Excited States. The journal of physical chemistry. A 126 (37) (2022)
Devin A Matthews, Lan Cheng, Michael E Harding, Filippo Lipparini, Stella Stopkowicz, Thomas-Christian Jagau, Péter G Szalay, Jürgen Gauss, John F Stanton
Coupled-cluster techniques for computational chemistry: The CFOUR program package. The Journal of chemical physics 152 (21) (2020)
Attila Tajti, Balázs Kozma, Péter G Szalay
Improved Description of Charge-Transfer Potential Energy Surfaces via Spin-Component-Scaled CC2 and ADC(2) Methods. Journal of chemical theory and computation 17 (1) (2020)
Balázs Kozma, Attila Tajti, Baptiste Demoulin, Robert Izsak, Marcel Nooijen, Péter G Szalay
A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled Cluster Type Methods. Journal of chemical theory and computation 16 (7) (2020)
Attila Tajti, Péter G Szalay
Accuracy of Spin-Component-Scaled CC2 Excitation Energies and Potential Energy Surfaces. Journal of chemical theory and computation 15 (10) (2019)
Attila Tajti, Levente Tulipán, Péter G Szalay
Accuracy of Spin-Component Scaled ADC(2) Excitation Energies and Potential Energy Surfaces. Journal of chemical theory and computation 16 (1) (2019)
Hans Lischka, Dana Natchigallová, Adélia J A Aquino, Péter G Szalay, Felix Plasser, Francisco B C Machado, Mario Barbatti
Multireference Approaches for Excited States of Molecules. Chemical reviews 118 (15) (2018)
Attila Tajti, John F Stanton, Devin A Matthews, Péter G Szalay
Accuracy of Coupled Cluster Excited State Potential Energy Surfaces. Journal of chemical theory and computation 14 (11) (2018)
Attila Tajti, György Lendvay, Péter G Szalay
Dimol Emission of Oxygen Made Possible by Repulsive Interaction. The journal of physical chemistry letters 8 (14) (2017)

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Publication Activity (10 Years)

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Péter G Szalay