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P

Péter Kovács

Institute of Materials Chemistry

6H-index
17Paper Count
117Citation Count
Published Papers 10
Publication Date
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Computing anharmonic infrared spectra of polycyclic aromatic hydrocarbons using machine learning molecular dynamics
errMonthly Notices of the Royal Astronomical Society
IF4.8
err2025-07-26
err0
errOAAI
errXinghong Mai; Zhao Wang; Lijun Pan; Johannes Schörghuber; Péter Kovács; Jesús Carrete; Georg K H Madsen
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LoGAN: local generative adversarial network for novel structure prediction
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2024-09-23
err0
errOAAI
errKovacs, Peter; Heid, Esther; Landsheere, Jasper De; Madsen, Georg K. H.
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Clinamen2: Functional-style evolutionary optimization in Python for atomistic structure searches ☆
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2024-04-01
err2
errOAAI
errWanzenboeck, Ralf; Buchner, Florian; Kovacs, Peter; Madsen, Georg K. H.; Carrete, Jesus
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Origin of the success of mGGAs for bandgaps
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-12-29
err4
errOAAI
errKovacs, Peter; Blaha, Peter; Madsen, Georg K. H.
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What is the optimal mGGA exchange functional for solids?
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-09-02
err13
errOAAI
errKovacs, Peter; Tran, Fabien; Blaha, Peter; Madsen, Georg K. H.
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Similarity Clustering for Representative Sets of Inorganic Solids for Density Functional Testing
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-12-17
err1
errOAAI
errKovacs, Peter; Tran, Fabien; Hanbury, Allan; Madsen, Georg K. H.
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Machine-learning Interpretation of the Correlation between Infrared Emission Features of Interstellar Polycyclic Aromatic Hydrocarbons
errASTROPHYSICAL JOURNAL
IF5.4
err2021-11-24
err7
errOAAI
errMeng, Zhisen; Zhu, Xiaosi; Kovacs, Peter; Liang, Enwei; Wang, Zhao
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Machine-learning Prediction of Infrared Spectra of Interstellar Polycyclic Aromatic Hydrocarbons
errASTROPHYSICAL JOURNAL
IF5.4
err2020-10-16
err23
errOAAI
errKovacs, Peter; Zhu, Xiaosi; Carrete, Jesus; Madsen, Georg K. H.; Wang, Zhao
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Comparative study of the PBE and SCAN functionals: The particular case of alkali metals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-04-25
err21
errOAAI
errKovacs, Peter; Tran, Fabien; Blaha, Peter; Madsen, Georg K. H.
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Orbital-free approximations to the kinetic-energy density in exchange-correlation MGGA functionals: Tests on solids
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-10-08
err20
errOAAI
errTran, Fabien; Kovacs, Peter; Kalantari, Leila; Madsen, Georg K. H.; Blaha, Peter
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Research Directions

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Co-authors
Cooperation Journals
P
Peter Blaha
H-index: 87 · Papers: 483
G
Georg K. H. Madsen
H-index: 51 · Papers: 247
E
En‐Wei Liang
H-index: 51 · Papers: 539
J
Jesús Carrete
H-index: 49 · Papers: 214
王
王钊 (Zhao Wang)
H-index: 45 · Papers: 279
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