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Péter R. Nagy

budapest university of technology and economics

23H指数
94论文数
2.5K被引数
收录论文 39
发表时间
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Accurate density functional theory for noncovalent interactions in charged systems带电体系中非共价相互作用的精确密度泛函理论
errScience Advances
IF12.5
err2026-04-22
err0
errOAAI
errHeng Zhao; Balázs D. Lőrincz; Tobias Henkes; Dénes Berta; Péter R. Nagy; Alexandre Tkatchenko; Stefan Vuckovic
err分享
err收藏
Development of Local Natural Orbital Arbitrary Order Coupled Cluster Methods and Assessment through Connected Quadruples局部自然轨道任意阶耦合簇方法的发展及通过连接四线激发的评估
errThe Journal of Physical Chemistry A
IF2.8
err2026-04-08
err0
errOAAI
errVladimir Fishman; Balázs D. Lőrincz; Emmanouil Semidalas; Aditya Barman; Jan M. L. Martin; Péter R. Nagy; Mihály Kállay
err分享
err收藏
Systematically Improvable and Locality Accelerated Enzymatic Reactivity Modeling: Toward Chemical Accuracy at Affordable Cost系统可改进和局部加速的酶反应性建模：朝着可负担成本下的化学精度迈进
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-24
err0
errOAAI
errDénes Berta; József Csóka; Gyula Samu; Péter R. Nagy
err分享
err收藏
Hybrid DFT Quality Thermochemistry and Environment Effects at GGA Cost via Local Quantum Embedding通过局部量子嵌入实现GGA成本下的混合DFT质量热化学和环境效应
errJournal of Chemical Theory and Computation
IF5.5
err2025-09-29
err0
errOAAI
errJózsef Csóka; Dénes Berta; Péter R. Nagy
err分享
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Understanding DFT Uncertainties for More Reliable Reactivity Predictions by Advancing the Analysis of Error Sources通过推进误差来源分析，以更可靠地预测反应性的DFT不确定性理解
errJournal of Chemical Theory and Computation
IF5.5
err2025-09-18
err0
errOAAI
errGergely Laczkó; Imre Pápai; Péter R. Nagy
err分享
err收藏
Enabling Accurate and Large-Scale Explicitly Correlated CCSD(T) Computations via a Reduced-Cost and Parallel Implementation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-26
err1
errOAAI
errLadoczki, Bence; Gyevi-Nagy, Laszlo; Nagy, Peter R.; Kallay, Mihaly
err分享
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Advanced computation of enthalpies fora range of hydroformylation reactions with a predictive power to match experiments对一系列羰基合成反应焓变的先进计算，其预测能力可与实验相匹配
errCHEMICAL PHYSICS LETTERS
IF3.1
err2025-02-01
err0
errOAAI
errPapp, Tamara; Nagy, Peter R.; Kegl, Tamas
err分享
err收藏
Basis-Set Limit CCSD(T) Energies for Large Molecules with Local Natural Orbitals and Reduced-Scaling Basis-Set Corrections
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-08-29
err3
errOAAI
errMester, David; Nagy, Peter R.; Kallay, Mihaly
err分享
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Where are we headed? To better understand the career paths and barriers psychiatrists, psychologists, and psychotherapists face in Hungary. An outline of a quantitative and qualitative study
errEUROPEAN PSYCHIATRY
IF6.7
err2024-08-27
err0
errOAAI
errBitter, I.; Peley, B.; Berdi, M.; Henrietta, B.; Farkas, K.; Gergics, E.; Nagy, P.; Pal, K.; Ungvari, B.; Szabo, P.; Tiringer, I.; Fulop, M.; Szonyi, G.
err分享
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Development of analytic gradients for the Huzinaga quantum embedding method and its applications to large-scale hybrid and double hybrid DFT forces
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-03-26
err2
errOAAI
errCsoka, Jozsef; Hegely, Bence; Nagy, Peter R.; Kallay, Mihaly
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State-of-the-art local correlation methods enable affordable gold standard quantum chemistry for up to hundreds of atoms
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err5
errOAAI
errNagy, Peter R.
err分享
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Polarizable AMOEBA Model for Simulating Mg2+ProteinNucleotide Complexes
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-12-05
err2
PREAI
errDelgado, Julian M.; Nagy, Peter R.; Varma, Sameer
err分享
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Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments表面化学的多体方法已成为时代: 通过实验达成共识
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2023-11-10
err18
errOAAI
errShi, Benjamin X.; Zen, Andrea; Kapil, Venkat; Nagy, Peter R.; Gruneis, Andreas; Michaelides, Angelos
err分享
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Linear-Scaling Local Natural Orbital CCSD(T) Approach for Open-Shell Systems: Algorithms, Benchmarks, and Large-Scale Applications
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-11-03
err8
errOAAI
errSzabo, P. Bernat; Csoka, Jozsef; Kallay, Mihaly; Nagy, Peter R.
err分享
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Basis Set Limit CCSD(T) Energies for Extended Molecules via a Reduced-Cost Explicitly Correlated Approach
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-12-28
err23
errOAAI
errKallay, Mihaly; Horvath, Reka A.; Gyevi-Nagy, Laszlo; Nagy, Peter R.
err分享
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Stability of Carbocyclic Phosphinyl Radicals: Effect of Ring Size, Delocalization, and Sterics
errINORGANIC CHEMISTRY
IF4.7
err2022-10-04
err4
errOAAI
errOtt, Anna; Nagy, Peter R.; Benko, Zoltan
err分享
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Size-consistent explicitly correlated triple excitation correction
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-07-15
err30
errOAAI
errKallay, Mihaly; Horvath, Reka A.; Gyevi-Nagy, Laszlo; Nagy, Peter R.
err分享
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Interactions between large molecules pose a puzzle for reference quantum mechanical methods
errNATURE COMMUNICATIONS
IF15.7
err2021-06-24
err64
errOAAI
errAl-Hamdani, Yasmine S.; Nagy, Peter R.; Zen, Andrea; Barton, Dennis; Kallay, Mihaly; Brandenburg, Jan Gerit; Tkatchenko, Alexandre
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Methyl-Induced Polarization Destabilizes the Noncovalent Interactions of N-Methylated Lysines甲基诱导的极化破坏了N-甲基化赖氨酸的非共价相互作用
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2021-06-17
err7
errOAAI
errRahman, Sanim; Wineman-Fisher, Vered; Nagy, Peter R.; Al-Hamdani, Yasmine; Tkatchenko, Alexandre; Varma, Sameer
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Linear-Scaling Open-Shell MP2 Approach: Algorithm, Benchmarks, and Large-Scale Applications
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-04-05
err22
errOAAI
errSzabo, P. Bernat; Csoka, Jozsef; Kallay, Mihaly; Nagy, Peter R.
err分享
err收藏

研究方向

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合作学者
合作期刊
J
Jan M. L. Martin
H 指数: 88 · 论文数: 552
F
Frank Verstraete
H 指数: 86 · 论文数: 335
A
Angelos Michaelides
H 指数: 84 · 论文数: 399
A
Alexandre Tkatchenko
H 指数: 82 · 论文数: 513
I
Imre Pápai
H 指数: 51 · 论文数: 320
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