Alexandre Tkatchenko

40.9k citations
242 papers · 26.6k · 17 hit papers · h-index 70

Impact in

Papers in

Alexandre Tkatchenko

236 papers receiving 26.3k citations

Alexandre Tkatchenko's Hit Papers

Biomolecular dynamics with machine-learned quantum-mechanical force fields trained on diverse chemical fragments 2024 · 76 citations
760+4+9Years since publication50010001.5k

Peers

Alexandre Tkatchenko
Comparison fields: 5 of 175
  • Materials Chemistry 17.4k
  • Physical and Theoretical Chemistry 3.0k
  • Atomic and Molecular Physics, and Optics 8.8k
  • Computational Theory and Mathematics 4.4k
  • Catalysis 1.2k
Replace Alán Aspuru‐Guzik with:
Alán Aspuru‐Guzik United States
Jörg Behler Germany
Stefan Goedecker Switzerland
Roberto Car United States
Gábor Cśanyi United Kingdom
Bartosz A. Grzybowski United States
Thomas Frauenheim Germany
M. C. Payne United Kingdom
Mark E. Tuckerman United States
O. Anatole von Lilienfeld Switzerland
Alexandre Tkatchenko relative to Alán Aspuru‐Guzik United States Alán Aspuru‐Guzik's profile →
Citations per field
00.5×1.5×2.2×
Alán Aspuru‐Guzik · 1×
Citations per year

Countries citing papers authored by Alexandre Tkatchenko

Since Specialization
Citations

This map shows the geographic impact of Alexandre Tkatchenko's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Alexandre Tkatchenko with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Alexandre Tkatchenko more than expected).

Fields of papers citing papers by Alexandre Tkatchenko

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Alexandre Tkatchenko. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Alexandre Tkatchenko. The network helps show where Alexandre Tkatchenko may publish in the future.

Co-authors

The 25 scholars most cited alongside Alexandre Tkatchenko, linked wherever they have co-authored with each other. Click a name or a connecting line to browse the papers they share.

Border = papers with Alexandre Tkatchenko Line = papers co-authored together Alexandre Tkatchenko links everyone, so they are left out of the graph.

All Works

20 of 20 papers shown

Showing the 20 most-cited of 242 papers — load more, or switch the sort, to bring in the rest.

#Work
1
Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data
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20095121
2
Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning
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20121606
3
SchNet – A deep learning architecture for molecules and materials
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20181469
4
Accurate and Efficient Method for Many-Body van der Waals Interactions
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20121206
5
Quantum-chemical insights from deep tensor neural networks
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2017990
6
Machine learning of accurate energy-conserving molecular force fields
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2017828
7
Machine Learning Predictions of Molecular Properties: Accurate Many-Body Potentials and Nonlocality in Chemical Space
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2015599
8
Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 andGWwith numeric atom-centered orbital basis functions
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2012597
9
Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems
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2021583
10
First-Principles Models for van der Waals Interactions in Molecules and Materials: Concepts, Theory, and Applications
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2017478
11
Density-Functional Theory with Screened van der Waals Interactions for the Modeling of Hybrid Inorganic-Organic Systems
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2012478
12
Assessment and Validation of Machine Learning Methods for Predicting Molecular Atomization Energies
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2013451
13
SchNetPack: A Deep Learning Toolbox For Atomistic Systems
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2018320
14
Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions
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2019307
15 2010289
16 2013284
17
Materials perspective on Casimir and van der Waals interactions
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2016282
18 2013272
19 2009268
20 2011259

About Alexandre Tkatchenko

Alexandre Tkatchenko is a scholar working on Materials Chemistry, Atomic and Molecular Physics, and Optics, Electrical and Electronic Engineering, Computational Theory and Mathematics and Molecular Biology, having authored 242 papers that have together received 26.6k indexed citations. Recurring topics across this work include Advanced Chemical Physics Studies (85 papers), Machine Learning in Materials Science (75 papers), Computational Drug Discovery Methods (36 papers), Spectroscopy and Quantum Chemical Studies (36 papers), Quantum, superfluid, helium dynamics (33 papers), Molecular Junctions and Nanostructures (29 papers), Protein Structure and Dynamics (29 papers) and Graphene research and applications (25 papers). The work is most often cited by research in Materials Chemistry (17.4k citations), Physical and Theoretical Chemistry (3.0k citations), Atomic and Molecular Physics, and Optics (8.8k citations), Computational Theory and Mathematics (4.4k citations) and Catalysis (1.2k citations). Alexandre Tkatchenko has collaborated with scholars based in Luxembourg, Germany and United States. Frequent co-authors include Matthias Scheffler, Klaus‐Robert Müller, O. Anatole von Lilienfeld, Kristof T. Schütt, Robert A. DiStasio, K. Müller, Stefan Chmiela, Huziel E. Sauceda, Matthias Rupp and Anthony M. Reilly. Their work appears in journals such as Physical Review Letters, The Journal of Chemical Physics, Journal of Chemical Theory and Computation, The Journal of Physical Chemistry Letters and Nature Communications.

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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