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A

Andreas M. Köster

cinvestav

41H指数
210论文数
6.3K被引数
收录论文 79
发表时间
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Nuclear Spin–Spin Coupling Constants from Auxiliary Density Functional Theory来自辅助密度泛函理论的核自旋-自旋耦合常数
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-30
err0
PREAI
errBernardo Zuniga-Gutierrez; Luis G. Cota; Jesús N. Pedroza-Montero; Mark R. Pederson; Andreas M. Köster
err分享
err收藏
Hybrid Diagonal Approximation in Time-Dependent Auxiliary Density Functional Theory时依赖辅助密度泛函理论中的混合对角近似
errJournal of Computational Chemistry
IF4.8
err2025-09-02
err0
errOAAI
errKevin O. Pérez-Becerra; Jesús N. Pedroza-Montero; Mark R. Pederson; Luis I. Hernández-Segura; Andreas M. Köster
err分享
err收藏
Constrained Structure Minimizations on Hyperspheres for Minimum Energy Path Following约束结构最小化在超球面上的最小能量路径跟踪
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-04-01
err0
errOAAI
errAlvarez, Jorge Alberto Sanchez; Lopez-Sosa, Luis; Koster, Andreas M.; Calaminici, Patrizia
err分享
err收藏
Automatic Generation of Even-Tempered Auxiliary Basis Sets with Shared Exponents for Density Fitting
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-27
err0
errOAAI
errDiaz-Tinoco, Manuel; Flores-Moreno, Roberto; Zuniga-Gutierrez, Bernardo A.; Koster, Andreas M.
err分享
err收藏
First Principles Global Optimization Method From Parallel Tempering Molecular Dynamics
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2025-02-21
err0
PREAI
errGeudtner, Gerald; Koster, Andreas M.
err分享
err收藏
Benzene Methylation by Methyl Mercaptan over Acidic Chabazite: Concerted or Stepwise Mechanism?
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2024-04-22
err1
PREAI
errGaumard, Robin; Guesmi, Hazar; Calaminici, Patrizia; Koster, Andreas; Samaniego Rojas, Juan Diego; Mineva, Tzonka
err分享
err收藏
Active-learning for global optimization of Ni-Ceria nanoparticles: The case of Ce4-xNixO8-x (x=1, 2, 3)
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-03-29
err2
errOAAI
errHerrera, Lizandra Barrios; Lourenco, Maicon Pierre; Hostas, Jiri; Calaminici, Patrizia; Koester, Andreas M.; Tchagang, Alain; Salahub, Dennis R.
err分享
err收藏
How important is the amount of exact exchange for spin-state energy ordering in DFT? Case study of molybdenum carbide cluster, Mo4C2
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-11-10
err4
PREAI
errHostas, Jiri; Perez-Becerra, Kevin O.; Calaminici, Patrizia; Barrios-Herrera, Lizandra; Lourenco, Maicon Pierre; Tchagang, Alain; Salahub, Dennis R.; Koster, Andreas M.
err分享
err收藏
Cartesian constraints in QM/MM optimizations
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2023-08-28
err3
errOAAI
errLopez-Sosa, L.; Calaminici, P.; Koster, A. M.
err分享
err收藏
QMLMaterialA Quantum Machine Learning Software for Material Design and Discovery
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-08-15
err7
PREAI
errLourenco, Maicon Pierre; Herrera, Lizandra Barrios; Hostas, Jiri; Calaminici, Patrizia; Koester, Andreas M.; Tchagang, Alain; Salahub, Dennis R.
err分享
err收藏
Efficient implementation of time-dependent auxiliary density functional theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-01-10
err1
PREAI
errHernandez-Segura, Luis, I; Koster, Andreas M.
err分享
err收藏
GAMaterial-A genetic-algorithm software for material design and discovery
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2022-11-29
err12
PREAI
errLourenco, Maicon Pierre; Hostas, Jiri; Herrera, Lizandra Barrios; Calaminici, Patrizia; Koster, Andreas M.; Tchagang, Alain; Salahub, Dennis R.
err分享
err收藏
1H NMR global diatropicity in copper hydride complexes
errNANOSCALE
IF5.1
err2022-01-01
err3
errOAAI
errLopez-Estrada, Omar; Torres-Moreno, Jorge L.; Zuniga-Gutierrez, Bernardo; Calaminici, Patrizia; Malola, Sami; Koster, Andreas M.; Hakkinen, Hannu
err分享
err收藏
Equations of State for the Thermodynamic Properties of n-Perfluorobutane, n-Perfluoropentane, and n-Perfluorohexane
errINDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
IF3.9
err2021-11-09
err7
PREAI
errGao, Kehui; Koster, Andreas; Thol, Monika; Wu, Jiangtao; Lemmon, Eric W.
err分享
err收藏
Self-Consistent Auxiliary Density Perturbation Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-10-28
err6
PREAI
errDelesma, Francisco A.; Delgado-Venegas, Rogelio, I; Salahub, Dennis R.; del Campo, Jorge M.; Pedroza-Montero, Jesus N.; Calaminici, Patrizia; Koster, Andreas M.
err分享
err收藏
Variational fitting of the Fock exchange potential with modified Cholesky decomposition
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-10-05
err4
PREAI
errNain Pedroza-Montero, Jesus; Antonio Delesma, Francisco; Luis Morales, Jose; Calaminici, Patrizia; Koster, Andreas M.
err分享
err收藏
Variational Density Fitting with a Krylov Subspace Method
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-03-29
err15
PREAI
errPedroza-Montero, Jesus N.; Luis Morales, Jose; Geudtner, Gerald; Alvarez-Ibarra, Aurelio; Calaminici, Patrizia; Koster, Andreas M.
err分享
err收藏
Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Reviewin-deMon2k QM/MM的分子模拟，教程-评论
errMOLECULES
IF4.6
err2019-04-26
err40
errOAAI
errde la Lande, Aurelien; Alvarez-Ibarra, Aurelio; Hasnaoui, Karim; Cailliez, Fabien; Wu, Xiaojing; Mineva, Tzonka; Cuny, Jerome; Calaminici, Patrizia; Lopez-Sosa, Luis; Geudtner, Gerald; Navizet, Isabelle; Iriepa, Cristina Garcia; Salahub, Dennis R.; Koster, Andreas M.
err分享
err收藏
Range-Separated Hybrid Functionals with Variational Fitted Exact Exchange
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-10-17
err17
PREAI
errDelesma, Francisco A.; Geudtner, Gerald; Mejia-Rodriguez, Daniel; Calaminici, Patrizia; Koster, Andreas M.
err分享
err收藏
ms2: A molecular simulation tool for thermodynamic properties, release 3.0ms2: 热力学性质的分子模拟工具，释放3.0
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2017-12-01
err71
PREAI
errRutkai, Gabor; Koester, Andreas; Guevara-Carrion, Gabriela; Janzen, Tatjana; Schappals, Michael; Glass, Colin W.; Bernreuther, Martin; Wafai, Amer; Stephan, Simon; Kohns, Maximilian; Reiser, Steffen; Deublein, Stephan; Horsch, Martin; Hasse, Hans; Vrabec, Jadran
err分享
err收藏

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合作学者
合作期刊
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Hannu Häkkinen
H 指数: 88 · 论文数: 526
P
Paul W. Ayers
H 指数: 76 · 论文数: 518
D
Dennis R. Salahub
H 指数: 74 · 论文数: 410
N
Nino Russo
H 指数: 67 · 论文数: 658
H
Hans Hasse
H 指数: 67 · 论文数: 771
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