A. Tkatchenko
发表
K. Müller,
M. Rupp,
A. Tkatchenko,
2011,
Physical review letters.
K. Müller,
A. Tkatchenko,
O. A. von Lilienfeld,
2015,
The journal of physical chemistry letters.
A. Tkatchenko,
Vivekanand V. Gobre,
Vivekanand V Gobre,
2013,
Nature Communications.
A. Tkatchenko,
R. Distasio,
R. Car,
2012,
Physical review letters.
A. Tkatchenko,
M. Scheffler,
Guo-Xu Zhang,
2011,
Physical review letters.
A. Tkatchenko,
M. Scheffler,
2009,
Physical review letters.
K. Müller,
A. Tkatchenko,
Stefan Chmiela,
2018,
Nature Communications.
A. Tkatchenko,
M. Scheffler,
X. Ren,
2012,
1201.0655.
Alexandre Tkatchenko,
Farhad Arbabzadah,
Kristof T. Schütt,
2016,
Nature Communications.
M. Rupp,
A. Tkatchenko,
G. Montavon,
2013,
1305.7074.
Stefano de Gironcoli,
D. Hamann,
A. Tkatchenko,
2016,
Science.
Kristof T. Schütt,
K. Müller,
A. Tkatchenko,
2019,
Nature Communications.
Assessment and Validation of Machine Learning Methods for Predicting Molecular Atomization Energies.
Klaus-Robert Müller,
Siamac Fazli,
Grégoire Montavon,
2013,
Journal of chemical theory and computation.
K. Müller,
M. Rupp,
A. Tkatchenko,
2012
.
Klaus-Robert Müller,
Alexandre Tkatchenko,
Igor Poltavsky,
2016,
Science Advances.
A. Tkatchenko,
I. Poltavsky,
2015,
Chemical science.
Andreas Ziehe,
Klaus-Robert Müller,
Siamac Fazli,
2012,
NIPS.
Klaus-Robert Müller,
Alexandre Tkatchenko,
Igor Poltavsky,
2019,
The Journal of chemical physics.
Klaus-Robert Müller,
Alexandre Tkatchenko,
Wiktor Pronobis,
2018,
Journal of chemical theory and computation.
A. Tkatchenko,
R. Podgornik,
L. M. Woods,
2015,
1509.03338.
A. Tkatchenko,
M. Scheffler,
Guo-Xu Zhang,
2013
.
A. Tkatchenko,
2007
.
A. Tkatchenko,
N. Batina,
2005,
The Journal of chemical physics.
A. Tkatchenko,
N. Batina,
2004
.
A. Tkatchenko,
L. Kronik,
Vivekanand V. Gobre,
2011,
Journal of chemical theory and computation.
A. Tkatchenko,
M. Rohlfing,
K. Müllen,
2014,
Nature Communications.
A. Tkatchenko,
Yasmine S Al-Hamdani,
S. Varma,
2019,
Journal of chemical theory and computation.
A. Tkatchenko,
Yasmine S Al-Hamdani,
S. Varma,
2020,
The Journal of chemical physics.
A. Tkatchenko,
J. Klimeš,
A. Michaelides,
2018,
Proceedings of the National Academy of Sciences.
Jan Hermann,
Alexandre Tkatchenko,
Robert A. DiStasio,
2017,
Chemical reviews.
A. Tkatchenko,
Vivekanand V. Gobre,
R. Distasio,
2014,
Journal of physics. Condensed matter : an Institute of Physics journal.
Alexandre Tkatchenko,
Robert A DiStasio,
A. Tkatchenko,
2013,
The Journal of chemical physics.
A. Tkatchenko,
R. Distasio,
R. Car,
2018,
Science Advances.
Klaus-Robert Müller,
Alexandre Tkatchenko,
Franziska Biegler,
2014
.
Alexandre Tkatchenko,
Tristan Bereau,
Robert A DiStasio,
2017,
The Journal of chemical physics.
Alexandre Tkatchenko,
Leonardo Medrano Sandonas,
A. Tkatchenko,
2020,
The journal of physical chemistry letters.
A. Tkatchenko,
Á. Vázquez-Mayagoitia,
Robert A. DiStasio,
2020,
2006.15139.
A. Tkatchenko,
M. Scheffler,
A. Michaelides,
2008,
The Journal of chemical physics.
Alexandre Tkatchenko,
Oded Hod,
Leeor Kronik,
2018,
Beilstein journal of organic chemistry.
A. Tkatchenko,
T. Van Voorhis,
M. Stöhr,
2019,
Chemical Society reviews.
A. Tkatchenko,
Mihály Kállay,
Yasmine S Al-Hamdani,
2020,
Nature Communications.
Klaus-Robert Müller,
Michael Gastegger,
Alexandre Tkatchenko,
2019
.
Klaus-Robert Müller,
Michael Gastegger,
Alexandre Tkatchenko,
2020,
Chemical reviews.
A. Tkatchenko,
Anthony M. Reilly,
A. Reilly,
2015,
Chemical science.
Aliaksandr V. Yakutovich,
A. Tkatchenko,
C. Pignedoli,
2017,
Journal of the American Chemical Society.
A. Tkatchenko,
M. Scheffler,
Wei Liu,
2014,
Accounts of chemical research.
Alexandre Tkatchenko,
Egbert Zojer,
Matthias Scheffler,
2012,
Physical review letters.
A. Tkatchenko,
Zhi Li,
I. Franco,
2018,
The journal of physical chemistry letters.
A. Tkatchenko,
E. Schöll,
V. R. Lopez,
2016
.
A. Tkatchenko,
K. Reuter,
R. Maurer,
2016,
1605.05781.
A. Tkatchenko,
Wei Liu,
H. Freund,
2016
.
A. Tkatchenko,
R. Maurer,
V. Ruiz,
2015,
The Journal of chemical physics.
A. Tkatchenko,
J. Carrasco,
A. Michaelides,
2014,
The Journal of chemical physics.
W. Liu,
A. Tkatchenko,
J. Carrasco,
2012,
1209.4345.
A. Tkatchenko,
Anthony M. Reilly,
Johannes Hoja,
2017
.
Alexandre Tkatchenko,
Mariana Rossi,
Matthias Scheffler,
2011,
Physical review letters.
A. Tkatchenko,
L. Kronik,
E. Joselevich,
2010,
Physical review letters.
A. Tkatchenko,
Yasmine S Al-Hamdani,
2019,
The Journal of chemical physics.
Oliver T. Unke,
Thomas Unterthiner,
A. Tkatchenko,
2022,
ArXiv.
Alice E. A. Allen,
A. Tkatchenko,
A. Allen,
2022,
Science advances.
A. Tkatchenko,
P. Kurian,
M. Gori,
2022,
2205.11549.
A. Tkatchenko,
M. Galante,
2021,
2110.06646.
Luis E. Gálvez-González,
A. Tkatchenko,
Stefan Chmiela,
2022,
Nature communications.
A. Tkatchenko,
O. Prezhdo,
Weibin Chu,
2021,
The journal of physical chemistry letters.
Farnaz Heidar-Zadeh,
Jerzy Hoja,
Marina Meila,
2017
.
A. Tkatchenko,
L. Kronik,
M. Scheffler,
2010,
Journal of chemical theory and computation.
Klaus-Robert Müller,
Alexandre Tkatchenko,
Stefan Chmiela,
2020
.
Claire S. Adjiman,
Julio C. Facelli,
Sanjaya Lohani,
2016,
Acta crystallographica Section B, Structural science, crystal engineering and materials.
A. Tkatchenko,
Johannes Hoja,
M. Neumann,
2019,
Communications Chemistry.
A. Tkatchenko,
Johannes Hoja,
2018,
Faraday discussions.
A. Tkatchenko,
C. Aerts,
E. Poretti,
2012,
1203.5231.
Oliver T. Unke,
A. Tkatchenko,
Stefan Chmiela,
2022,
2209.14865.
Oliver T. Unke,
A. Tkatchenko,
Stefan Chmiela,
2022,
Science advances.
Kristof T. Schütt,
T. Carrington,
S. Manzhos,
2022,
Electronic Structure.
A. Tkatchenko,
J. Chelikowsky,
R. Distasio,
2012,
Angewandte Chemie.
A. Tkatchenko,
W. Gao,
2013,
Physical review letters.
N. K. Sharykin,
A. Tkatchenko,
B. Ryabov,
1978
.
A. Tkatchenko,
Florian Mazur,
A. Taghavi,
2022,
The Journal of chemical physics.
A. Tkatchenko,
T. Elsaesser,
K. Reimann,
2017,
Physical review letters.
A. Tkatchenko,
O. A. V. Lilienfeld,
2006
.
A. Tkatchenko,
Stefan Chmiela,
I. Poltavsky,
2022,
2209.03985.
A. Tkatchenko,
A. Allen,
2022,
arXiv.org.
A. Tkatchenko,
2006
.
A. Tkatchenko,
2006
.
A. Tkatchenko,
Stefan Chmiela,
I. Poltavsky,
2022,
2209.03985.
Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems
A. Tkatchenko,
M. Gastegger,
Stefan Chmiela,
2021,
Chemical reviews.
Michael Gastegger,
Klaus-Robert Muller,
Alexandre Tkatchenko,
2020,
Chemical reviews.
Alexandre Tkatchenko,
O Anatole von Lilienfeld,
A. Tkatchenko,
2010,
The Journal of chemical physics.
A. Tkatchenko,
Jian-jie Liang,
Stephen Monaco,
2014
.
A. Tkatchenko,
Anthony M. Reilly,
A. Reilly,
2013,
The Journal of chemical physics.
Alexandre Tkatchenko,
A. Tkatchenko,
Anthony M. Reilly,
2013,
The journal of physical chemistry letters.
K. Müller,
A. Tkatchenko,
Stefan Chmiela,
2020,
Nature communications.
R J Maurer,
B Hourahine,
B Aradi,
2020,
The Journal of chemical physics.
A. Tkatchenko,
M. Galván,
Anaid G. Flores-Huerta,
2016,
The journal of physical chemistry. A.
A. Tkatchenko,
L. Kronik,
2014,
Accounts of chemical research.
A. Tkatchenko,
L. Kronik,
N. Marom,
2011
.
Klaus-Robert Muller,
Alexandre Tkatchenko,
Stefan Chmiela,
2019,
Machine Learning Meets Quantum Physics.
A. Tkatchenko,
S. Jezowski,
Jian-jie Liang,
2012
.
A. Tkatchenko,
A. Goodwin,
E. Reynolds,
2017,
1702.07133.
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Daniel S. Levine,
Run R. Li,
K. B. Whaley,
2021,
The Journal of chemical physics.
A. Tkatchenko,
W. Gao,
2015,
Physical review letters.
A. Tkatchenko,
C. Friend,
J. Rodriguez-Reyes,
2014,
Journal of the American Chemical Society.
A. Tkatchenko,
Jian-jie Liang,
Stephen Monaco,
2013,
The journal of physical chemistry. A.
Fabio Pietrucci,
Alexandre Tkatchenko,
Andrew L. Ferguson,
2020,
Journal of chemical theory and computation.
A. Tkatchenko,
N. Moll,
Wei Liu,
2013,
Physical review letters.
Frank Noé,
Cecilia Clementi,
Klaus-Robert Müller,
2019,
Annual review of physical chemistry.
K-R Müller,
Kristof T. Schütt,
M Gastegger,
2018,
Journal of chemical theory and computation.
K-R Müller,
Kristof T. Schütt,
K T Schütt,
2017,
The Journal of chemical physics.
Alexandre Tkatchenko,
Matthias Scheffler,
Martin Head-Gordon,
2009,
The Journal of chemical physics.
A. Tkatchenko,
Á. Vázquez-Mayagoitia,
Robert A. DiStasio Jr.,
2021
.
A. Tkatchenko,
M. Ceriotti,
I. Poltavsky,
2020,
Journal of chemical theory and computation.
A. Tkatchenko,
Matteo Barborini,
Jorge Charry Martinez,
2022,
Journal of chemical theory and computation.
Sagar A. Pandit,
Nalvi D. Duro,
A. Tkatchenko,
2021,
Proteins.
Klaus-Robert Müller,
Alexandre Tkatchenko,
Pieter-Jan Kindermans,
2017,
NIPS.
A. Tkatchenko,
J. Hermann,
2018,
Handbook of Materials Modeling.
A. Tkatchenko,
A. Kleshchonok,
2018,
Nature Communications.
A. Tkatchenko,
D. Fedorov,
M. Karimpour,
2021,
Physical Review Research.
A. Tkatchenko,
D. Fedorov,
M. Karimpour,
2021,
The journal of physical chemistry letters.
Molecular Interactions Induced by an Electric Field in Quantum Mechanics and Quantum Electrodynamics
A. Tkatchenko,
D. Fedorov,
M. Karimpour,
2021
.
A. Tkatchenko,
D. Fedorov,
M. Karimpour,
2020,
Physical review letters.
A. Tkatchenko,
J. Hermann,
2019,
Physical review letters.
A. Tkatchenko,
M. Stöhr,
2019,
Science Advances.
A. Tkatchenko,
R. Distasio,
N. Ferri,
2016,
Science.
Alexandre Tkatchenko,
Dario Alfè,
Robert A DiStasio,
2014,
The journal of physical chemistry letters.
A. Tkatchenko,
R. Distasio,
A. Ambrosetti,
2012,
The Journal of chemical physics.
A. Tkatchenko,
Alejandro W. Rodriguez,
J. Hermann,
2018,
Physical review letters.
A. Tkatchenko,
D. Fedorov,
M. Stöhr,
2021,
Physical Review Research.
A. Tkatchenko,
D. Fedorov,
M. Gori,
2021,
The journal of physical chemistry letters.
Klaus-Robert Müller,
Alexandre Tkatchenko,
Stefan Chmiela,
2021,
Nature Communications.
Rolf Findeisen,
Michael Maiworm,
F. Stefan Tautz,
2019,
Nature Materials.
A. Tkatchenko,
R. Distasio,
R. Car,
2015,
Physical review letters.
A. Tkatchenko,
S. Lebègue,
T. Björkman,
2019,
Annual Review of Materials Research.
A. Tkatchenko,
M. Galante,
2021,
Physical Review Research.
A. Tkatchenko,
S. Bordas,
T. Nguyen,
2020,
Nature Communications.
A. Tkatchenko,
Alejandro W. Rodriguez,
J. Hermann,
2018,
Science Advances.
A. Tkatchenko,
Wei Liu,
S. Filimonov,
2017,
The journal of physical chemistry letters.
A. Tkatchenko,
P. Umari,
A. Ambrosetti,
2022,
Nature communications.
A. Tkatchenko,
Yasmine S Al-Hamdani,
J. Hermann,
2020,
Nature Communications.
A. Tkatchenko,
Yasmine S Al-Hamdani,
S. Varma,
2020,
Journal of molecular biology.
A. Tkatchenko,
S. Varma,
M. Rossi,
2013,
Proceedings of the National Academy of Sciences.
A. Tkatchenko,
Alejandro W. Rodriguez,
J. Hermann,
2020,
2005.04083.
A. Tkatchenko,
I. Poltavsky,
J. Hermann,
2017
.
K. Müller,
A. Tkatchenko,
M. Gastegger,
2020,
The Journal of chemical physics.
A. Tkatchenko,
M. Scheffler,
Jun-Hyung Cho,
2012
.
K. Müller,
A. Tkatchenko,
O. A. von Lilienfeld,
2019,
Nature Reviews Chemistry.
A. Tkatchenko,
J. Chelikowsky,
X. Ren,
2014,
The journal of physical chemistry letters.
A. Tkatchenko,
R. Maurer,
J. Brandenburg,
2018,
The journal of physical chemistry letters.
A. Tkatchenko,
L. Kronik,
J. Neaton,
2018,
Journal of chemical theory and computation.
A. Tkatchenko,
A. Michaelides,
G. Kresse,
2017,
The Journal of chemical physics.
A. Tkatchenko,
M. Scheffler,
X. Ren,
2012,
The journal of physical chemistry letters.
A. Tkatchenko,
A. Ambrosetti,
P. Silvestrelli,
2017,
1705.02910.
Jan Hermann,
Alexandre Tkatchenko,
Alejandro W Rodriguez,
2017,
Physical review letters.
A. Tkatchenko,
M. Sadhukhan,
2016,
Physical review letters.
A. Tkatchenko,
2015
.
Woo Youn Kim,
Alexandre Tkatchenko,
Kwang S Kim,
2013,
Journal of chemical theory and computation.
A. Tkatchenko,
M. Scheffler,
Guo‐Xu Zhang,
2018,
New Journal of Physics.
Alexandre Tkatchenko,
O. Anatole von Lilienfeld,
A. Tkatchenko,
2008
.
Alexandre Tkatchenko,
Igor Poltavsky,
A. Tkatchenko,
2016,
The Journal of chemical physics.
A. Tkatchenko,
Wei Liu,
W. Riedel,
2017,
Science Advances.
A. Tkatchenko,
M. Oehzelt,
Wei Liu,
2014,
The journal of physical chemistry. C, Nanomaterials and interfaces.
A. Tkatchenko,
M. Galván,
J. Weissenrieder,
2006
.
Klaus-Robert Müller,
Alexandre Tkatchenko,
Igor Poltavsky,
2018,
Comput. Phys. Commun..
A. Tkatchenko,
R. Berndt,
I. Poltavsky,
2018,
The Journal of chemical physics.
A. Tkatchenko,
M. Oehzelt,
Wei Liu,
2014
.
A. Tkatchenko,
J. Carrasco,
Wei Liu,
2013,
Nature Communications.
A. Tkatchenko,
L. Kronik,
O. Hod,
2021,
Journal of chemical theory and computation.
A. Tkatchenko,
I. Poltavsky,
2021,
The journal of physical chemistry letters.
Alexandre Tkatchenko,
Leeor Kronik,
Piyush Agrawal,
2013,
Journal of chemical theory and computation.
Alexandre Tkatchenko,
A. Tkatchenko,
2020,
Nature Communications.
Alexandre Tkatchenko,
Robert A. DiStasio,
O. Anatole von Lilienfeld,
2012,
Proceedings of the National Academy of Sciences.
A. Tkatchenko,
Q. Jiang,
J. Hermann,
2020,
Journal of Physical Chemistry Letters.
A. Tkatchenko,
Yasmine S Al-Hamdani,
J. Hermann,
2021,
Nature Communications.
A. Tkatchenko,
M. Stoehr,
2019
.
A. Tkatchenko,
M. Sadhukhan,
2018,
Physical review letters.
Alexandre Tkatchenko,
A. Tkatchenko,
D. Fedorov,
2018,
Physical review letters.
A. Tkatchenko,
D. Alfé,
J. Hermann,
2017,
Nature Communications.
Alexandre Tkatchenko,
Matthias Scheffler,
Patrick Rinke,
2010,
Physical review letters.
A. Tkatchenko,
R. Car,
M. Scheffler,
2013,
The Journal of chemical physics.
Claudia Ambrosch-Draxl,
Alexandre Tkatchenko,
Egbert Zojer,
2010
.
A. Tkatchenko,
M. Strano,
A. Ambrosetti,
2022
.
A. Tkatchenko,
A. Reilly,
2014,
Physical review letters.
Kristof T. Schütt,
K. Müller,
A. Tkatchenko,
2018,
The European Physical Journal B.
A. Tkatchenko,
I. Poltavsky,
Valentin Vassilev-Galindo,
2021,
The Journal of chemical physics.
A. Tkatchenko,
I. Poltavsky,
Valentin Vassilev-Galindo,
2021,
The Journal of chemical physics.
A. Tkatchenko,
Stefan Chmiela,
H. E. Sauceda,
2021,
Nature Communications.
Alexandre Tkatchenko,
Igor Poltavsky,
Robert A DiStasio,
2018,
The Journal of chemical physics.
A. Tkatchenko,
D. Fedorov,
2020,
2007.02992.
A. Tkatchenko,
D. Fedorov,
M. Stöhr,
2018
.
A. Tkatchenko,
J. Chelikowsky,
X. Ren,
2011
.
A. Tkatchenko,
E. Kaxiras,
Wei Chen,
2016,
Journal of the American Chemical Society.
A. Tkatchenko,
L. Kronik,
O. Hod,
2019,
Journal of chemical theory and computation.
A. Tkatchenko,
P. Tegeder,
M. Ajdari,
2019,
The journal of physical chemistry letters.
A. Tkatchenko,
Wei Liu,
V. G. Ruiz,
2016
.
A. Tkatchenko,
Wei Liu,
N. Ferri,
2017,
Journal of physics. Condensed matter : an Institute of Physics journal.
A. Tkatchenko,
Wei Chen,
C. Friend,
2017
.
Alexandre Tkatchenko,
Dario Alfè,
A. Tkatchenko,
2012,
Journal of chemical theory and computation.
A. Tkatchenko,
Wei Liu,
P. Tegeder,
2018,
The Journal of chemical physics.
A. Tkatchenko,
R. Car,
M. Scheffler,
2011,
Physical review letters.
A. Tkatchenko,
Alessio Fallani,
M. Sarkis,
2023,
2306.08544.
A. Tkatchenko,
J. Hermann,
Xiaofei Liu,
2016,
The Journal of chemical physics.
A. Tkatchenko,
T. Elsaesser,
K. Reimann,
2017,
2017 Conference on Lasers and Electro-Optics (CLEO).
A. Tkatchenko,
Stefan Chmiela,
H. E. Sauceda,
2019,
Machine Learning Meets Quantum Physics.
A. Tkatchenko,
K. Reuter,
R. Maurer,
2016,
Physical review letters.
A. Tkatchenko,
S. Soubatch,
R. Maurer,
2013,
1405.3670.
A. Tkatchenko,
N. Koch,
J. Zegenhagen,
2013,
1304.3581.
A. Tkatchenko,
O. Prezhdo,
Weibin Chu,
2022,
The Journal of chemical physics.
A. Tkatchenko,
N. Koch,
S. Hecht,
2018,
The Journal of Physical Chemistry C.
A. Tkatchenko,
M. Head‐Gordon,
R. Distasio,
2009
.
A. Tkatchenko,
K. Tsuda,
O. A. V. Lilienfeld,
2020,
Lecture Notes in Physics.
Klaus-Robert Müller,
Alexandre Tkatchenko,
Kristof T. Schütt,
2018,
Machine Learning Meets Quantum Physics.
Klaus-Robert Müller,
Michael Gastegger,
Alexandre Tkatchenko,
2018,
Explainable AI.
Michael Gastegger,
Klaus-Robert Müller,
Alexandre Tkatchenko,
2019,
Nature Communications.
A. Tkatchenko,
Stefan Chmiela,
I. Poltavsky,
2023,
Nature communications.
A. Tkatchenko,
L. Kronik,
O. Hod,
2023,
The journal of physical chemistry. A.
A. Tkatchenko,
N. Batina,
M. Galván,
2006,
Physical review letters.
A. Tkatchenko,
A. Cedillo,
N. Batina,
2005
.
A. Tkatchenko,
J. Hermann,
2018,
Journal of chemical theory and computation.
A. Tkatchenko,
Wei Liu,
Yong Xu,
2016,
The journal of physical chemistry letters.
A. Tkatchenko,
P. Tegeder,
F. Tautz,
2023,
Communications Chemistry.
A. Tkatchenko,
Igor Poltavskyi,
2015
.
A. Tkatchenko,
P. Kurian,
M. Gori,
2022,
2205.11549.
A. Tkatchenko,
I. Poltavsky,
Gregory Fonseca,
2023,
Journal of chemical theory and computation.
A. Tkatchenko,
P. Umari,
A. Ambrosetti,
2022,
Nature Communications.
A. Tkatchenko,
T. Bučko,
W. Saidi,
2013,
The journal of physical chemistry. C, Nanomaterials and interfaces.
A. Tkatchenko,
T. Van Voorhis,
M. Stöhr,
2019,
Chemical Society reviews.
A. Tkatchenko,
L. Kronik,
M. Scheffler,
2011,
Journal of chemical theory and computation.
Kristof T. Schütt,
K. Müller,
A. Tkatchenko,
2017,
The Journal of chemical physics.
A. Tkatchenko,
O. A. von Lilienfeld,
R. Distasio,
2017,
The Journal of chemical physics.
A. Tkatchenko,
S. Bordas,
A. Ambrosetti,
2021,
Physical review letters.
A. Tkatchenko,
2013
.
A. Tkatchenko,
O. A. von Lilienfeld,
Stefan Chmiela,
2020,
Machine Learning Meets Quantum Physics.
A. Tkatchenko,
L. Kronik,
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