V. A. Tkatchenko : rechercher sur Z-Library

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1

First-Principles Models for van der Waals Interactions in Molecules and Materials: Concepts, Theory, and Applications

Hermann, Jan, DiStasio, Robert A., Tkatchenko, Alexandre

Journal:

Chemical Reviews

Année:

2017

Langue:

english

Fichier:

PDF, 8.20 MB

english, 2017

2

Machine Learning for Molecular Simulation

NoÃ©, Frank, Tkatchenko, Alexandre, MÃ¼ller, Klaus-Robert, Clementi, Cecilia

Journal:

Annual Review of Physical Chemistry

Année:

2020

Fichier:

PDF, 1.83 MB

2020

3

Materials perspective on Casimir and van der Waals interactions

Woods, L. M., Dalvit, D. A. R., Tkatchenko, A., Rodriguez-Lopez, P., Rodriguez, A. W., Podgornik, R.

Journal:

Review of Modern Physics

Année:

2016

Langue:

english

Fichier:

PDF, 6.21 MB

english, 2016

4

[Lecture Notes in Physics] Machine Learning Meets Quantum Physics Volume 968 ||

SchÃ¼tt, Kristof T., Chmiela, Stefan, von Lilienfeld, O. Anatole, Tkatchenko, Alexandre, Tsuda, Koji, MÃ¼ller, Klaus-Robert

Année:

2020

Fichier:

PDF, 16.80 MB

2020

5

Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

Rupp, Matthias, Tkatchenko, Alexandre, Müller, Klaus-Robert, von Lilienfeld, O.

Journal:

Physical Review Letters

Année:

2012

Langue:

english

Fichier:

PDF, 734 KB

english, 2012

6

High-frequency electromagnetic field coupling to long terminated lines

Tkatchenko, S., Rachidi, F., Ianoz, M.

Journal:

IEEE Transactions on Electromagnetic Compatibility

Année:

2001

Langue:

english

Fichier:

PDF, 333 KB

english, 2001

7

Modeling of molecular atomization energies using machine learning

Matthias Rupp, Alexandre Tkatchenko, Klaus-Robert Müller, O Anatole von Lilienfeld

Journal:

Journal of Cheminformatics

Année:

2012

Langue:

english

Fichier:

PDF, 71 KB

english, 2012

8

Wavelike charge density fluctuations and van der Waals interactions at the nanoscale

Ambrosetti, A., Ferri, N., DiStasio, R. A., Tkatchenko, A.

Journal:

Année:

2016

Langue:

english

Fichier:

PDF, 1.82 MB

english, 2016

9

Structure and Stability of Molecular Crystals with Many Body Dispersion Inclusive Density Functional Tight Binding

Mortazavi, Majid, Brandenburg, Jan Gerit, Maurer, Reinhard J., Tkatchenko, Alexandre

Journal:

The Journal of Physical Chemistry Letters

Année:

2018

Langue:

english

Fichier:

PDF, 3.61 MB

english, 2018

10

SchNet – A deep learning architecture for molecules and materials

Schütt, K. T., Sauceda, H. E., Kindermans, P.-J., Tkatchenko, A., Müller, K.-R.

Journal:

The Journal of Chemical Physics

Année:

2018

Langue:

english

Fichier:

PDF, 4.01 MB

english, 2018

11

Advances in Density-Functional Calculations for Materials Modeling

Maurer, Reinhard J., Freysoldt, Christoph, Reilly, Anthony M., Brandenburg, Jan Gerit, Hofmann, Oliver T., Björkman, Torbjörn, Lebègue, Sébastien, Tkatchenko, Alexandre

Journal:

Annual Review of Materials Research

Année:

2019

Langue:

english

Fichier:

PDF, 1.36 MB

english, 2019

12

Exploring chemical compound space with quantum-based machine learning

von Lilienfeld, O. Anatole, MÃ¼ller, Klaus-Robert, Tkatchenko, Alexandre

Journal:

Nature Reviews Chemistry

Année:

2020

Fichier:

PDF, 2.95 MB

2020

13

Cationic η3-allyl complexes. 21. Telomerization of buta-1,3-diene with Z–H compounds mediated by group 10 complexes

Faouzi Bouachir, Pierre Grenouillet, Denis Neibecker, Jacques Poirier, Igor Tkatchenko

Journal:

Journal of Organometallic Chemistry

Année:

1998

Langue:

english

Fichier:

PDF, 224 KB

english, 1998

14

Ionic Liquids: Media for Better Molecular Catalysis

Michel Picquet, Didier Poinsot, Stefanie Stutzmann, Igor Tkatchenko, Immacolata Tommasi, Peter Wasserscheid, Jörg Zimmermann

Journal:

Topics in Catalysis

Année:

2004

Langue:

english

Fichier:

PDF, 103 KB

english, 2004

15

Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals

Marom, Noa, Tkatchenko, Alexandre, Rossi, Mariana, Gobre, Vivekanand V., Hod, Oded, Scheffler, Matthias, Kronik, Leeor

Journal:

Journal of Chemical Theory and Computation

Année:

2011

Langue:

english

Fichier:

PDF, 1.94 MB

english, 2011

16

Electromagnetic field coupling to a line of finite length: theory and fast iterative solutions in frequency and time domains

Tkatchenko, S., Rachidi, F., Ianoz, M.

Journal:

IEEE Transactions on Electromagnetic Compatibility

Année:

1995

Langue:

english

Fichier:

PDF, 854 KB

english, 1995

17

Design and magnetic results on a 3 Tesla, 10 Weber spectrometer magnet at Saclay

Acerbi, E., Faure, J., Laune, B., Penicaud, J., Tkatchenko, M.

Journal:

IEEE Transactions on Magnetics

Année:

1981

Langue:

english

Fichier:

PDF, 831 KB

english, 1981

18

Prevention of HIV/AIDS among injecting drug users in Russia: Opportunities and barriers to scaling-up of harm reduction programmes

Elena Tkatchenko-Schmidt, Adrian Renton, Ruzanna Gevorgyan, Ludmila Davydenko, Rifat Atun

Journal:

Année:

2008

Langue:

english

Fichier:

PDF, 137 KB

english, 2008

19

1,3-Dimethylimidazolium-2-carboxylate: the unexpected synthesis of an ionic liquid precursor and carbene-CO2 adductElectronic supplementary information (ESI) available: experimental data for 1,3-dimethylimidazolium-2-carboxylate. Supplemental crystal structure data. ORTEP, hydrogen bonding and packing diagrams. See http://www.rsc.org./suppdata/cc/b2/b211519k/

Holbrey, John D., Reichert, W. Matthew, Tkatchenko, Igor, Bouajila, Ezzedine, Walter, Olaf, Tommasi, Immacolata, Rogers, Robin D.

Journal:

Chemical Communications

Année:

2003

Langue:

english

Fichier:

PDF, 241 KB

english, 2003

20

Assessment and Validation of Machine Learning Methods for Predicting Molecular Atomization Energies

Hansen, Katja, Montavon, Grégoire, Biegler, Franziska, Fazli, Siamac, Rupp, Matthias, Scheffler, Matthias, von Lilienfeld, O. Anatole, Tkatchenko, Alexandre, Müller, Klaus-Robert

Journal:

Journal of Chemical Theory and Computation

Année:

2013

Langue:

english

Fichier:

PDF, 2.33 MB

english, 2013

21

Machine learning of molecular electronic properties in chemical compound space

Montavon, Grégoire, Rupp, Matthias, Gobre, Vivekanand, Vazquez-Mayagoitia, Alvaro, Hansen, Katja, Tkatchenko, Alexandre, Müller, Klaus-Robert, Anatole von Lilienfeld, O

Journal:

New Journal of Physics

Année:

2013

Langue:

english

Fichier:

PDF, 6.86 MB

english, 2013

22

Long-range correlation energy calculated from coupled atomic response functions

Ambrosetti, Alberto, Reilly, Anthony M., DiStasio, Robert A., Tkatchenko, Alexandre

Journal:

The Journal of Chemical Physics

Année:

2014

Langue:

english

Fichier:

PDF, 917 KB

english, 2014

23

Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces

Carrasco, Javier, Liu, Wei, Michaelides, Angelos, Tkatchenko, Alexandre

Journal:

The Journal of Chemical Physics

Année:

2014

Langue:

english

Fichier:

PDF, 966 KB

english, 2014

24

Current Understanding of Van der Waals Effects in Realistic Materials

Tkatchenko, Alexandre

Journal:

Advanced Functional Materials

Année:

2015

Langue:

english

Fichier:

PDF, 685 KB

english, 2015

25

Sliding Mechanisms in Multilayered Hexagonal Boron Nitride and Graphene: The Effects of Directionality, Thickness, and Sliding Constraints

Gao, Wang, Tkatchenko, Alexandre

Journal:

Physical Review Letters

Année:

2015

Langue:

english

Fichier:

PDF, 949 KB

english, 2015

26

Machine Learning Predictions of Molecular Properties: Accurate Many-Body Potentials and Nonlocality in Chemical Space

Hansen, Katja, Biegler, Franziska, Ramakrishnan, Raghunathan, Pronobis, Wiktor, von Lilienfeld, O. Anatole, Müller, Klaus-Robert, Tkatchenko, Alexandre

Journal:

The Journal of Physical Chemistry Letters

Année:

2015

Langue:

english

Fichier:

PDF, 1.53 MB

english, 2015

27

Nailing Quantum Nuclei with Perturbed Path Integral Molecular Dynamics

Poltavsky, Igor, Tkatchenko, Alexandre

Journal:

Chemical Science

Année:

2015

Langue:

english

Fichier:

PDF, 1.88 MB

english, 2015

28

First-principles modeling of molecular crystals: structures and stabilities, temperature and pressure

Hoja, Johannes, Reilly, Anthony M., Tkatchenko, Alexandre

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Année:

2017

Langue:

english

Fichier:

PDF, 1.38 MB

english, 2017

29

Quantum-chemical insights from deep tensor neural networks

Schütt, Kristof T., Arbabzadah, Farhad, Chmiela, Stefan, Müller, Klaus R., Tkatchenko, Alexandre

Journal:

Nature Communications

Année:

2017

Langue:

english

Fichier:

PDF, 919 KB

english, 2017

30

Powder diffraction and crystal structure prediction identify four new coumarin polymorphs

Shtukenberg, Alexander G., Zhu, Qiang, Carter, Damien J., Vogt, Leslie, Hoja, Johannes, Schneider, Elia, Song, Hongxing, Pokroy, Boaz, Polishchuk, Iryna, Tkatchenko, Alexandre, Oganov, Artem R., Rohl,

Journal:

Chemical Science

Année:

2017

Langue:

english

Fichier:

PDF, 7.88 MB

english, 2017

31

Many-Body Descriptors for Predicting Molecular Properties with Machine Learning: Analysis of Pairwise and Three-Body Interactions in Molecules

Pronobis, Wiktor, Tkatchenko, Alexandre, Müller, Klaus-Robert

Journal:

Journal of Chemical Theory and Computation

Année:

2018

Langue:

english

Fichier:

PDF, 29.73 MB

english, 2018

32

Quantum tunneling of thermal protons through pristine graphene

Poltavsky, Igor, Zheng, Limin, Mortazavi, Majid, Tkatchenko, Alexandre

Journal:

The Journal of Chemical Physics

Année:

2018

Langue:

english

Fichier:

PDF, 1.77 MB

english, 2018

33

Evaluation of a delineation software for cardiac atlas-based autosegmentation: An example of the use of artificial intelligence in modern radiotherapy

Loap, P., Tkatchenko, N., Kirova, Y.

Journal:

Cancer/Radiothérapie

Année:

2020

Fichier:

PDF, 656 KB

2020

34

Fermi Surface of Disordered Cu3Au as Determined by Angle-resolved Photoemission

Con Foo, J. A., Tkatchenko, S., Stampfl, A. P. J., Ziegler, A., Mattern, B., Hollering, M., Denecke, R., Ley, L., Riley, J. D., Leckey, R. C. G.

Journal:

Surface and Interface Analysis

Année:

1996

Langue:

english

Fichier:

PDF, 348 KB

english, 1996

35

Electrocatalytic reduction of CO2 for the selective carboxylation of olefins

Danielle Ballivet-Tkatchenko, Jean-Claude Folest, Jamal Tanji

Journal:

Applied Organometallic Chemistry

Année:

2000

Langue:

english

Fichier:

PDF, 47 KB

english, 2000

36

Buchbesprechung: Applied Homogeneous Catalysis with Organometallic Compounds. 2. Ausgabe. Herausgegeben von Boy Cornils und Wolfgang A. Herrmann

Igor Tkatchenko

Journal:

Angewandte Chemie

Année:

2002

Langue:

german

Fichier:

PDF, 80 KB

german, 2002

37

Book Review: Applied Homogeneous Catalysis with Organometallic Compounds. Vols. 1–3. 2nd. Edition. Edited by Boy Cornils and Wolfgang A. Herrmann

Igor Tkatchenko

Journal:

Angewandte Chemie International Edition

Année:

2002

Langue:

english

Fichier:

PDF, 59 KB

english, 2002

38

Ionic Liquids, 3. Synthesis and Utilisation of Protic Imidazolium Salts in Homogeneous Catalysis

Michel Picquet, Igor Tkatchenko, Immacolata Tommasi, Peter Wasserscheid, Jörg Zimmermann

Journal:

Advanced Synthesis & Catalysis

Année:

2003

Langue:

english

Fichier:

PDF, 71 KB

english, 2003

39

Mono- and Bidentate Phosphine Ligands in the Palladium-Catalyzed Methyl Acrylate Dimerization

Jörg Zimmermann, Igor Tkatchenko, Peter Wasserscheid

Journal:

Advanced Synthesis & Catalysis

Année:

2003

Langue:

english

Fichier:

PDF, 107 KB

english, 2003

40

Bis(olefin)nickel(0)-Komplexe

Dr. P. W. Jolly, Dr. Igor Tkatchenko, Prof. Dr. Günther Wilke

Journal:

Angewandte Chemie

Année:

1971

Fichier:

PDF, 116 KB

1971

41

Zum Mechanismus der Cyclodimerisation von Butadien mit Nickel-Ligand-Katalysatoren

Dr. P. W. Jolly, Dr. Igor Tkatchenko, Prof. Dr. Günther Wilke

Journal:

Angewandte Chemie

Année:

1971

Langue:

german

Fichier:

PDF, 119 KB

german, 1971

42

Höhere Telomere bei der Pd-katalysierten Reaktion von Butadien mit Alkoholen

Pierre Grenouillet, Dr. Denis Neibecker, Jacques Poirier, Dr. Igor Tkatchenko

Journal:

Angewandte Chemie

Année:

1982

Langue:

german

Fichier:

PDF, 199 KB

german, 1982

43

Kationische Allylruthenium-Komplexe durch Allylgruppenaustausch

Dr. Faouzi Bouachir, Dr. Bruno Chaudret, Dr. Denis Neibecker, Dr. Igor Tkatchenko

Journal:

Angewandte Chemie

Année:

1985

Langue:

german

Fichier:

PDF, 211 KB

german, 1985

44

Applied Homogeneous Catalysis with Organometallic Compounds. A Comprehensive Handbook in Two Volumes. Herausgegeben von B. Cornils und W. A. Herrmann. VCH Verlagsgesellschaft, Weinheim, 1996. 571 S. (Vol. 1), 675 S. (Vol. 2), geb., zusammen 748.00 DM.—ISBN 3–527–29286–1

Igor B. Tkatchenko

Journal:

Angewandte Chemie

Année:

1997

Langue:

german

Fichier:

PDF, 449 KB

german, 1997

45

The Mechanism of the Cyclodimerization of Butadiene with Nickel-Ligand Catalysts

Dr. P. W. Jolly, Dr. I. Tkatchenko, Prof. Dr. Günther Wilke

Journal:

Angewandte Chemie International Edition

Année:

1971

Langue:

english

Fichier:

PDF, 240 KB

english, 1971

46

Bis(olefin)nickel(0) Complexes

Dr. P. W. Jolly, Dr. I. Tkatchenko, Prof. Dr. Günther Wilke

Journal:

Angewandte Chemie International Edition

Année:

1971

Langue:

english

Fichier:

PDF, 222 KB

english, 1971

47

Higher Telomers in the Pd-Catalyzed Reaction of Butadiene with Alcohols

Pierre Grenouillet, Dr. Denis Neibecker, Jacques Poirier, Dr. Igor Tkatchenko

Journal:

Angewandte Chemie International Edition

Année:

1982

Langue:

english

Fichier:

PDF, 220 KB

english, 1982

48

Cationic Allylruthenium Complexes via Interchange of Allyl Moieties

Dr. Faouzi Bouachir, Dr. Bruno Chaudret, Dr. Denis Neibecker, Dr. Igor Tkatchenko

Journal:

Angewandte Chemie International Edition

Année:

1985

Langue:

english

Fichier:

PDF, 250 KB

english, 1985

49

Book Review: The Success Story of Organometallic Chemistry!: Applied Homogeneous Catalysis with Organometallic Compounds. A Comprehensive Handbook. (Volumes 1 and 2). Edited by B. Cornils and W. A. Herrmann

Igor Tkatchenko

Journal:

Angewandte Chemie International Edition

Année:

1997

Langue:

english

Fichier:

PDF, 476 KB

english, 1997

50

Chemical Pathways: 150 Years of Evolution of Chemistry

Laurence Lestel, Igor Tkatchenko

Journal:

Chemistry - A European Journal

Année:

2007

Langue:

english

Fichier:

PDF, 269 KB

english, 2007