Alexandre Tkatchenko 个人学术档案

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引用	42760	29972
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i10 指数	191	172

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Klaus-Robert MüllerGoogle DeepMind & TU Berlin & Korea University & Max Planck Institute for Informatics, Germany在 tu-berlin.de 的电子邮件经过验证
Matthias SchefflerDirector of NOMAD Laboratory at FHI of Max-Planck-Gesellschaft and IRIS-Adlershof of HU Berlin在 fhi-berlin.mpg.de 的电子邮件经过验证
O. Anatole von LilienfeldClark & CIFAR AI chair at University of Toronto/Vector Institute/Technical University Berlin在 utoronto.ca 的电子邮件经过验证
Robert A. DiStasio Jr.Associate Professor, Chemistry and Chemical Biology, Cornell University在 cornell.edu 的电子邮件经过验证
Kristof T. SchüttPfizer, Machine Learning Research在 pfizer.com 的电子邮件经过验证
Stefan ChmielaTechnische Universität Berlin在 chmiela.com 的电子邮件经过验证
Igor PoltavskyPostDoc在 uni.lu 的电子邮件经过验证
Huziel E. SaucedaAssistant Professor, Instituto de Física, Universidad Nacional Autonoma de Mexico在 fisica.unam.mx 的电子邮件经过验证
Wei LiuChangchun Institute of Applied Chemistry, Chinese Academy of Sciences在 ciac.ac.cn 的电子邮件经过验证
alberto ambrosettiUniversità degli Studi di Padova在 pd.infn.it 的电子邮件经过验证
Matthias RuppLuxembourg Institute of Science and Technology (LIST)在 list.lu 的电子邮件经过验证
Jan HermannMicrosoft Research AI for Science在 microsoft.com 的电子邮件经过验证
Leeor KronikWeizmann Institute of Science在 weizmann.ac.il 的电子邮件经过验证
Angelos MichaelidesUniversity of Cambridge在 cam.ac.uk 的电子邮件经过验证
Reinhard J. MaurerProfessor, Department of Chemistry & Department of Physics, University of Warwick在 warwick.ac.uk 的电子邮件经过验证
Johannes HojaUniversity of Graz在 uni-graz.at 的电子邮件经过验证
Noa MaromAssociate Professor, Materials Science and Engineering, Carnegie Mellon University在 andrew.cmu.edu 的电子邮件经过验证
Dario AlfeProfessor of Physics at University College London and Universita' di Napoli Federico II在 ucl.ac.uk 的电子邮件经过验证
Valentin Vassilev-GalindoIMDEA Materials Institute在 imdea.org 的电子邮件经过验证
Karsten ReuterDirector at Fritz-Haber-Institut der MPG在 fhi-berlin.mpg.de 的电子邮件经过验证

关注

Alexandre Tkatchenko

Professor of Physics, University of Luxembourg; Visiting Professor, TU Berlin; APS Fellow; FRSC

在 uni.lu 的电子邮件经过验证 - 首页

Intermolecular Interactions AI for Science Chemical Physics Materials Physics


标题按引用次数排序按年份排序按标题排序	引用次数引用次数	年份
Accurate molecular van der Waals interactions from ground-state electron density and free-atom reference data A Tkatchenko, M Scheffler Physical Review Letters 102 (7), 073005, 2009	6064	2009
Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning M Rupp, A Tkatchenko, KR Müller, OA von Lilienfeld Physical Review Letters 108, 058301, 2012	2302	2012
Schnet–a deep learning architecture for molecules and materials KT Schütt, HE Sauceda, PJ Kindermans, A Tkatchenko, KR Müller The Journal of Chemical Physics 148 (24), 2018	1725	2018
Accurate and efficient method for many-body van der Waals interactions A Tkatchenko, RA DiStasio Jr, R Car, M Scheffler Physical Review Letters 108 (23), 236402, 2012	1496	2012
Quantum-chemical insights from deep tensor neural networks KT Schütt, F Arbabzadah, S Chmiela, KR Müller, A Tkatchenko Nature communications 8 (1), 13890, 2017	1467	2017
Reproducibility in density functional theory calculations of solids K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ... Science 351 (6280), aad3000, 2016	1428*	2016
Machine learning of accurate energy-conserving molecular force fields S Chmiela, A Tkatchenko, HE Sauceda, I Poltavsky, KT Schütt, KR Müller Science advances 3 (5), e1603015, 2017	1189	2017
Schnet: A continuous-filter convolutional neural network for modeling quantum interactions K Schütt, PJ Kindermans, HE Sauceda Felix, S Chmiela, A Tkatchenko, ... Advances in neural information processing systems 30, 2017	1166	2017
Machine learning force fields OT Unke, S Chmiela, HE Sauceda, M Gastegger, I Poltavsky, KT Schütt, ... Chemical Reviews 121 (16), 10142-10186, 2021	844	2021
Machine learning predictions of molecular properties: Accurate many-body potentials and nonlocality in chemical space K Hansen, F Biegler, R Ramakrishnan, W Pronobis, OA Von Lilienfeld, ... The journal of physical chemistry letters 6 (12), 2326-2331, 2015	829	2015
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations B Hourahine, B Aradi, V Blum, F Bonafé, A Buccheri, C Camacho, ... The Journal of chemical physics 152 (12), 2020	804	2020
Machine learning of molecular electronic properties in chemical compound space G Montavon, M Rupp, V Gobre, A Vazquez-Mayagoitia, K Hansen, ... New Journal of Physics 15 (9), 095003, 2013	757	2013
Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions X Ren, P Rinke, V Blum, J Wieferink, A Tkatchenko, A Sanfilippo, K Reuter, ... New Journal of Physics 14 (5), 053020, 2012	745	2012
Assessment and validation of machine learning methods for predicting molecular atomization energies K Hansen, G Montavon, F Biegler, S Fazli, M Rupp, M Scheffler, ... Journal of chemical theory and computation 9 (8), 3404-3419, 2013	692	2013
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021	691	2021
Machine learning for molecular simulation F Noé, A Tkatchenko, KR Müller, C Clementi Annual review of physical chemistry 71, 361-390, 2020	688	2020
Towards exact molecular dynamics simulations with machine-learned force fields S Chmiela, HE Sauceda, KR Müller, A Tkatchenko Nature communications 9 (1), 3887, 2018	686	2018
Long-range correlation energy calculated from coupled atomic response functions A Ambrosetti, AM Reilly, RA DiStasio, A Tkatchenko The Journal of chemical physics 140 (18), 2014	647	2014
Density-functional theory with screened van der Waals interactions for the modeling of hybrid inorganic-organic systems VG Ruiz, W Liu, E Zojer, M Scheffler, A Tkatchenko Physical Review Letters 108 (14), 146103, 2012	632	2012
Report on the sixth blind test of organic crystal structure prediction methods AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ... Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016	590	2016

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