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P

Péter Kovács

Institute of Materials Chemistry

6H指数
17论文数
117被引数
收录论文 10
发表时间
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Computing anharmonic infrared spectra of polycyclic aromatic hydrocarbons using machine learning molecular dynamics利用机器学习分子动力学计算多环芳烃的非谐波红外光谱
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
err分享
err收藏
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.
err分享
err收藏
Clinamen2: Functional-style evolutionary optimization in Python for atomistic structure searches ☆Clinamen2: Python中用于原子结构搜索的函数式进化优化 ☆
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2024-04-01
err2
errOAAI
errWanzenboeck, Ralf; Buchner, Florian; Kovacs, Peter; Madsen, Georg K. H.; Carrete, Jesus
err分享
err收藏
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.
err分享
err收藏
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.
err分享
err收藏
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.
err分享
err收藏
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
err分享
err收藏
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
err分享
err收藏
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.
err分享
err收藏
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
err分享
err收藏

研究方向

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合作学者
合作期刊
P
Peter Blaha
H 指数: 87 · 论文数: 484
梁恩维 封面图
梁恩维 (En‐Wei Liang)
H 指数: 51 · 论文数: 541
G
Georg K. H. Madsen
H 指数: 51 · 论文数: 250
J
Jesús Carrete
H 指数: 49 · 论文数: 217
王
王钊 (Zhao Wang)
H 指数: 45 · 论文数: 280
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