World's Best Scientists 2026 revealed!
VIEW LIST
O. Anatole von Lilienfeld

O. Anatole von Lilienfeld

University of Toronto
Canada

D-Index & Metrics

Chemistry

D-Index
59
Citations
18774
World Ranking
9995
National Ranking
265

O. Anatole von Lilienfeld publication distribution in Chemistry in 2026

The chart shows the distribution of publications by all Research.com ranked scientists in the field of Chemistry in 2026. The highlighted bar marks where O. Anatole von Lilienfeld sits on this spectrum.

61–80 publications: 66 scientists 81–100 publications: 302 scientists 101–120 publications: 623 scientists 121–140 publications: 918 scientists 141–160 publications: 1,218 scientists 161–180 publications: 1,350 scientists 181–200 publications: 1,344 scientists 201–220 publications: 1,281 scientists 221–240 publications: 1,216 scientists 241–260 publications: 1,100 scientists 261–280 publications: 979 scientists 281–300 publications: 939 scientists 301–320 publications: 764 scientists 321–340 publications: 643 scientists 341–360 publications: 628 scientists 361–380 publications: 522 scientists 381–400 publications: 459 scientists 401–420 publications: 397 scientists 421–440 publications: 327 scientists 441–460 publications: 270 scientists 461–480 publications: 265 scientists 481–500 publications: 252 scientists 501–520 publications: 201 scientists 521–540 publications: 185 scientists 541–560 publications: 148 scientists 561–580 publications: 148 scientists 581–600 publications: 132 scientists 601–620 publications: 114 scientists 621–640 publications: 104 scientists 641–660 publications: 91 scientists 661–680 publications: 92 scientists 681–700 publications: 73 scientists 701–720 publications: 57 scientists 721–740 publications: 54 scientists 741–760 publications: 67 scientists 761–780 publications: 45 scientists 781–800 publications: 46 scientists 801–820 publications: 39 scientists 821–840 publications: 32 scientists 841–860 publications: 36 scientists 861–880 publications: 29 scientists 881–900 publications: 26 scientists 901–920 publications: 24 scientists 921–940 publications: 14 scientists 941–960 publications: 23 scientists 961–980 publications: 28 scientists 981–1,000 publications: 15 scientists 1,001–1,020 publications: 29 scientists 1,021–1,040 publications: 12 scientists 1,041–1,060 publications: 19 scientists 1,061–1,080 publications: 12 scientists 1,081–1,100 publications: 6 scientists 1,101–1,120 publications: 8 scientists 1,121–1,140 publications: 12 scientists 1,141–1,160 publications: 5 scientists 1,161–1,180 publications: 6 scientists 1,181–1,200 publications: 14 scientists 1,201–1,220 publications: 7 scientists 1,221–1,240 publications: 2 scientists 1,241–1,260 publications: 6 scientists 1,261–1,280 publications: 4 scientists 1,281–1,294 publications: 6 scientists 1,295+ publications: 100 scientists
61 publications 1,295+

This scientist: 182 publications — 26th percentile

26% of scientists in this discipline score the same or lower.

The last bar groups every scientist with 1,295 publications or more.

O. Anatole von Lilienfeld D-index placement in Chemistry in 2026

The chart shows the D-index (discipline H-index) distribution of Chemistry scientists ranked by Research.com in 2026. The highlighted bar marks where O. Anatole von Lilienfeld sits on this spectrum.

40–41 D-Index: 289 scientists 42–43 D-Index: 612 scientists 44–45 D-Index: 808 scientists 46–47 D-Index: 776 scientists 48–49 D-Index: 835 scientists 50–51 D-Index: 861 scientists 52–53 D-Index: 872 scientists 54–55 D-Index: 933 scientists 56–57 D-Index: 1,051 scientists 58–59 D-Index: 930 scientists 60–61 D-Index: 882 scientists 62–63 D-Index: 834 scientists 64–65 D-Index: 731 scientists 66–67 D-Index: 775 scientists 68–69 D-Index: 683 scientists 70–71 D-Index: 646 scientists 72–73 D-Index: 561 scientists 74–75 D-Index: 501 scientists 76–77 D-Index: 437 scientists 78–79 D-Index: 388 scientists 80–81 D-Index: 354 scientists 82–83 D-Index: 292 scientists 84–85 D-Index: 275 scientists 86–87 D-Index: 254 scientists 88–89 D-Index: 235 scientists 90–91 D-Index: 185 scientists 92–93 D-Index: 192 scientists 94–95 D-Index: 155 scientists 96–97 D-Index: 163 scientists 98–99 D-Index: 125 scientists 100–101 D-Index: 105 scientists 102–103 D-Index: 105 scientists 104–105 D-Index: 112 scientists 106–107 D-Index: 88 scientists 108–109 D-Index: 68 scientists 110–111 D-Index: 69 scientists 112–113 D-Index: 65 scientists 114–115 D-Index: 79 scientists 116–117 D-Index: 61 scientists 118–119 D-Index: 44 scientists 120–121 D-Index: 37 scientists 122–123 D-Index: 40 scientists 124–125 D-Index: 33 scientists 126–127 D-Index: 26 scientists 128–129 D-Index: 34 scientists 130–131 D-Index: 35 scientists 132–133 D-Index: 25 scientists 134–135 D-Index: 27 scientists 136–137 D-Index: 17 scientists 138–139 D-Index: 16 scientists 140–141 D-Index: 20 scientists 142–143 D-Index: 20 scientists 144–145 D-Index: 15 scientists 146–147 D-Index: 9 scientists 148–149 D-Index: 9 scientists 150–151 D-Index: 16 scientists 152–153 D-Index: 11 scientists 154–155 D-Index: 9 scientists 156–157 D-Index: 3 scientists 158 D-Index: 3 scientists 159+ D-Index: 98 scientists
40 D-Index 159+

This scientist: 59 D-Index — 44th percentile

44% of scientists in this discipline score the same or lower.

The last bar groups every scientist with 159 D-Index or more.

Overview

O. Anatole von Lilienfeld is affiliated with the University of Toronto in Canada and specializes in fields intersecting materials science and chemistry. Their research encompasses a broad spectrum of topics focused primarily on computational methods and machine learning applications within these scientific domains.

Their main fields of study include:

  • Materials Science
  • Chemistry

Subfields of study linked to their work cover:

  • Materials Chemistry
  • Atomic and Molecular Physics, and Optics
  • Computational Theory and Mathematics
  • Physical and Theoretical Chemistry
  • Molecular Biology

The core topics addressed in their research are:

  • Machine Learning in Materials Science
  • Computational Drug Discovery Methods
  • Advanced Chemical Physics Studies
  • Protein Structure and Dynamics
  • Various Chemistry Research Topics
  • Spectroscopy and Quantum Chemical Studies
  • Catalysis and Oxidation Reactions

Among their frequent coauthors are:

  • Guido Falk von Rudorff
  • Stefan Heinen
  • Danish Khan
  • Dominik Lemm
  • Max Schwilk

Von Lilienfeld has published extensively in several scientific venues, with frequent appearances in:

  • arXiv (Cornell University)
  • The Journal of Chemical Physics
  • Zenodo (CERN European Organization for Nuclear Research)
  • Machine Learning Science and Technology
  • Journal of Chemical Theory and Computation

Recent notable papers include:

  • "FCHL revisited: Faster and more accurate quantum machine learning" (2020) in The Journal of Chemical Physics
  • "Quantum machine learning using atom-in-molecule-based fragments selected on the fly" (2020) in Nature Chemistry
  • "Retrospective on a decade of machine learning for chemical discovery" (2020) in Nature Communications
  • "The central role of density functional theory in the AI age" (2023) in Science
  • "Ab Initio Machine Learning in Chemical Compound Space" (2021) in Chemical Reviews

In addition to research articles, the scientist has contributed to book literature, including:

  • "Machine Learning Meets Quantum Physics" (2020), published by Springer Science+Business Media

Best Publications

  • Quantum chemistry structures and properties of 134 kilo molecules

    Raghunathan Ramakrishnan;Pavlo O. Dral;Pavlo O. Dral;Matthias Rupp;O. Anatole von Lilienfeld

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

    Katja Hansen;Franziska Biegler;Raghunathan Ramakrishnan;Wiktor Pronobis

  • Prediction Errors of Molecular Machine Learning Models Lower than Hybrid DFT Error

    Felix A. Faber;Luke Hutchison;Bing Huang;Justin Gilmer

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

    Katja Hansen;Grégoire Montavon;Franziska Biegler;Siamac Fazli

  • Optimization of Effective Atom Centered Potentials for London Dispersion Forces in Density Functional Theory

    O. Anatole von Lilienfeld;Ivano Tavernelli;Ursula Rothlisberger;Daniel Sebastiani

  • Crystal structure representations for machine learning models of formation energies

    Felix Faber;Alexander Lindmaa;O. Anatole von Lilienfeld;Rickard Armiento

  • Long Range Interactions in Nanoscale Science.

    Roger H. French;V. Adrian Parsegian;Rudolf Podgornik;Rick F. Rajter

  • Machine Learning Energies of 2 Million Elpasolite (ABC_{2}D_{6}) Crystals.

    Felix A. Faber;Alexander Lindmaa;O. Anatole von Lilienfeld;O. Anatole von Lilienfeld;Rickard Armiento

  • FCHL revisited: Faster and more accurate quantum machine learning

    Anders Steen Christensen;Lars Andersen Bratholm;Felix A. Faber;O. Anatole Von Lilienfeld

  • Understanding molecular representations in machine learning: The role of uniqueness and target similarity

    Bing Huang;O. Anatole von Lilienfeld

  • Two- and three-body interatomic dispersion energy contributions to binding in molecules and solids

    O. Anatole von Lilienfeld;Alexandre Tkatchenko

  • Machine Learning for Quantum Mechanical Properties of Atoms in Molecules

    Matthias Rupp;Raghunathan Ramakrishnan;O. Anatole von Lilienfeld

  • Fourier series of atomic radial distribution functions: A molecular fingerprint for machine learning models of quantum chemical properties

    O. Anatole von Lilienfeld;O. Anatole von Lilienfeld;Raghunathan Ramakrishnan;Matthias Rupp;Aaron Knoll

  • Collective many-body van der Waals interactions in molecular systems

    Robert A. DiStasio;O. Anatole von Lilienfeld;Alexandre Tkatchenko

  • Quantum Machine Learning in Chemical Compound Space.

    Unknown

  • Quantum machine learning using atom-in-molecule-based fragments selected on the fly

    Bing Huang;O. Anatole von Lilienfeld

  • Machine learning meets volcano plots: Computational discovery of cross-coupling catalysts

    Benjamin Meyer;Boodsarin Sawatlon;Stefan Niklaus Heinen;Stefan Niklaus Heinen;O. Anatole von Lilienfeld;O. Anatole von Lilienfeld

  • The central role of density functional theory in the AI age

    Unknown

  • Library of dispersion-corrected atom-centered potentials for generalized gradient approximation functionals: Elements H, C, N, O, He, Ne, Ar, and Kr

    I-Chun Lin;Maurício D. Coutinho-Neto;Camille Felsenheimer;O. Anatole von Lilienfeld

  • First principles view on chemical compound space: Gaining rigorous atomistic control of molecular properties

    O. Anatole von Lilienfeld

  • Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized from machine learning

    Tristan Bereau;Robert A. DiStasio;Alexandre Tkatchenko;O. Anatole von Lilienfeld

  • Big Data meets Quantum Chemistry Approximations: The $\Delta$-Machine Learning Approach

    Raghunathan Ramakrishnan;Pavlo O. Dral;Matthias Rupp;O. Anatole von Lilienfeld

Frequent Co-Authors

Alexandre Tkatchenko
Alexandre Tkatchenko University of Luxembourg
Klaus-Robert Müller
Klaus-Robert Müller Technical University of Berlin
Matthias Rupp
Matthias Rupp Luxembourg Institute of Science and Technology
Angelos Michaelides
Angelos Michaelides University of Cambridge
Ursula Rothlisberger
Ursula Rothlisberger École Polytechnique Fédérale de Lausanne
Denis Andrienko
Denis Andrienko Max Planck Society
Ivano Tavernelli
Ivano Tavernelli IBM (United States)
Andrew J. Millis
Andrew J. Millis Columbia University
Grégoire Montavon
Grégoire Montavon Freie Universität Berlin
Mark E. Tuckerman
Mark E. Tuckerman New York University

External Links

Personal website of O. Anatole von Lilienfeld

If you think any of the details on this page are incorrect, let us know.

Report an issue

We appreciate your kind effort to assist us to improve this page, it would be helpful providing us with as much detail as possible in the text box below:

Related Online Degrees & Career Pathways

For students interested in Chemistry and its applications, exploring related fields such as forensic science and criminal justice can open additional career opportunities. Online programs have made it easier to pursue these specializations, providing flexibility and accessibility for busy learners.

For those drawn to the intersection of science and law enforcement, an online forensic science degree offers rigorous training in analyzing physical evidence. Graduates often move into roles like crime lab analysts or forensic technologists, helping solve crimes using scientific methods.

Alternatively, students may consider a forensic psychology master's programs. These programs blend psychological principles with legal contexts, preparing graduates to work in criminal profiling, counseling, or expert testimony.

Understanding the variety of forensic career paths is essential when choosing your educational route. Roles vary widely, from fieldwork and lab analysis to specialized research and consultancy within legal frameworks.

Cost is often a significant factor in decision-making. The article on how much does a criminal justice degree cost offers valuable insights into tuition and fees associated with online degrees, enabling future students to plan financially.

Best Scientists Citing O. Anatole von Lilienfeld

Klaus-Robert Müller

Klaus-Robert Müller

Technical University of Berlin

Publications: 92

Alexandre Tkatchenko

Alexandre Tkatchenko

University of Luxembourg

Publications: 86

Rudolf Podgornik

Rudolf Podgornik

University of Chinese Academy of Sciences

Publications: 75

Alán Aspuru-Guzik

Alán Aspuru-Guzik

University of Toronto

Publications: 50

Michele Ceriotti

Michele Ceriotti

École Polytechnique Fédérale de Lausanne

Publications: 49

Gábor Csányi

Gábor Csányi

University of Cambridge

Publications: 38

Angelos Michaelides

Angelos Michaelides

University of Cambridge

Publications: 34

Ursula Rothlisberger

Ursula Rothlisberger

École Polytechnique Fédérale de Lausanne

Publications: 31

Stefan Grimme

Stefan Grimme

University of Bonn

Publications: 31

Mark E. Tuckerman

Mark E. Tuckerman

New York University

Publications: 26

Matthias Scheffler

Matthias Scheffler

Fritz Haber Institute of the Max Planck Society

Publications: 25

Rampi Ramprasad

Rampi Ramprasad

Georgia Institute of Technology

Publications: 24

Matthias Rupp

Matthias Rupp

Luxembourg Institute of Science and Technology

Publications: 23

Kristin A. Persson

Kristin A. Persson

Lawrence Berkeley National Laboratory

Publications: 22

Weitao Yang

Weitao Yang

Duke University

Publications: 22

Markus Reiher

Markus Reiher

ETH Zurich

Publications: 21

Trending Scientists

Maryam Tabrizian

Maryam Tabrizian

McGill University

Feng Hao

Feng Hao

University of Electronic Science and Technology of China

Mei Yan

Mei Yan

University of Jinan

Norman W. Pammenter

Norman W. Pammenter

University of KwaZulu-Natal

Erik Lykke Mortensen

Erik Lykke Mortensen

University of Copenhagen

Glen P. Peters

Glen P. Peters

Center for International Climate and Environmental Research

Terry Deshler

Terry Deshler

University of Wyoming

Maria João Bebianno

Maria João Bebianno

University of Algarve

Catherine Chauvel

Catherine Chauvel

Institut de Physique du Globe de Paris

Helena Tlaskalova-Hogenova

Helena Tlaskalova-Hogenova

Czech Academy of Sciences

Mohd Roslee Othman

Mohd Roslee Othman

Universiti Sains Malaysia

David Holder

David Holder

University College London

Franjo Pernuš

Franjo Pernuš

University of Ljubljana

Ryota Sakamoto

Ryota Sakamoto

Kyoto University

Zdeněk Slanina

Zdeněk Slanina

Toyohashi University of Technology

Lifeng Wang

Lifeng Wang

Stony Brook University

Related Chemistry Rankings & Guides

2026 Forensic Science Degree Coursework Explained: What Classes Can You Expect to Take?

2026 Forensic Science Degree Coursework Explained: What Classes Can You Expect to Take?
2026 How to Become a Medical Examiner: Education, Salary, and Job Outlook

2026 How to Become a Medical Examiner: Education, Salary, and Job Outlook
2026 Credit Requirements for a Forensic Science Degree Explained

2026 Credit Requirements for a Forensic Science Degree Explained
2026 How Fast Can You Get a Chemistry Degree Online?

2026 How Fast Can You Get a Chemistry Degree Online?
2026 How to Become a Medicolegal Death Investigator: Education, Salary, and Job Outlook

2026 How to Become a Medicolegal Death Investigator: Education, Salary, and Job Outlook
2026 Fastest Online Forensic Science Degree Programs You Can Finish in Under 2 Years

2026 Fastest Online Forensic Science Degree Programs You Can Finish in Under 2 Years
2026 Online Chemistry Degree Programs Costs: Tuition & Fees

2026 Online Chemistry Degree Programs Costs: Tuition & Fees
2026 Is Demand for Forensic Science Degree Graduates Growing or Declining?

2026 Is Demand for Forensic Science Degree Graduates Growing or Declining?
2026 Biotechnology Careers: Guide to Career Paths, Options & Salary

2026 Biotechnology Careers: Guide to Career Paths, Options & Salary
2026 How Much Does a Forensic Science Degree Program Cost? Tuition, Fees & Total Expense Breakdown

2026 How Much Does a Forensic Science Degree Program Cost? Tuition, Fees & Total Expense Breakdown
2026 How to Become a Coroner: Education, Salary, and Job Outlook

2026 How to Become a Coroner: Education, Salary, and Job Outlook
2026 Can You Get a Forensic Science Degree Master's Without a Related Bachelor's Degree?

2026 Can You Get a Forensic Science Degree Master's Without a Related Bachelor's Degree?
2026 How Fast Can You Get a Forensic Science Degree Online?

2026 How Fast Can You Get a Forensic Science Degree Online?
2026 How to Become a Crime Scene Photographer: Education, Salary, and Job Outlook

2026 How to Become a Crime Scene Photographer: Education, Salary, and Job Outlook

Recently Published Articles

2026 Fastest Online Information Technology Bachelor's Degree Programs You Can Finish in 3 Years or Less

2026 Fastest Online Information Technology Bachelor's Degree Programs You Can Finish in 3 Years or Less
2026 Most Affordable Online Associate’s Degree in Accounting

2026 Most Affordable Online Associate’s Degree in Accounting
2026 Online Entrepreneurship Degree Programs Costs: Tuition & Fees

2026 Online Entrepreneurship Degree Programs Costs: Tuition & Fees
August 2026 Fast Track LPN Programs Online - 6, 9, 10, 11, 12 Month Programs

August 2026 Fast Track LPN Programs Online - 6, 9, 10, 11, 12 Month Programs
2026 Online History Bachelor's Degree Programs That Accept Transfer Credits

2026 Online History Bachelor's Degree Programs That Accept Transfer Credits
2026 Cheapest and Shortest Online Business Law Degree Programs That Pay Well: Cost, Duration, and Salary Outlook

2026 Cheapest and Shortest Online Business Law Degree Programs That Pay Well: Cost, Duration, and Salary Outlook
2026 Easiest Online Fine Arts Master's Degree Programs That Pay Well: High-Salary Degrees with Simple Admissions

2026 Easiest Online Fine Arts Master's Degree Programs That Pay Well: High-Salary Degrees with Simple Admissions
2026 What Can You Do with a Crime Analysis Master's Degree? Careers, Salaries & Growth

2026 What Can You Do with a Crime Analysis Master's Degree? Careers, Salaries & Growth
2026 Fastest Online Bachelor's in History Degree Programs

2026 Fastest Online Bachelor's in History Degree Programs
2026 Shortest Online Spanish Bachelor's Degree Programs That Pay Well: Cost, Time to Completion, and Salary Outlook

2026 Shortest Online Spanish Bachelor's Degree Programs That Pay Well: Cost, Time to Completion, and Salary Outlook
2026 Shortest Online Forensic Psychology Bachelor's Degree Programs That Pay Well: Cost, Time to Completion, and Salary Outlook

2026 Shortest Online Forensic Psychology Bachelor's Degree Programs That Pay Well: Cost, Time to Completion, and Salary Outlook
2026 Cheapest and Shortest Online Cybersecurity Degree Programs That Pay Well: Cost, Duration, and Salary Outlook

2026 Cheapest and Shortest Online Cybersecurity Degree Programs That Pay Well: Cost, Duration, and Salary Outlook
2026 Competency-Based Online Clinical Mental Health Counseling Master's Degrees

2026 Competency-Based Online Clinical Mental Health Counseling Master's Degrees
2026 Online Kinesiology Bachelor's Degree Completion Programs for Working Adults

2026 Online Kinesiology Bachelor's Degree Completion Programs for Working Adults
2026 Data Science Salary: How Much Can You Make With A Data Science Degree

2026 Data Science Salary: How Much Can You Make With A Data Science Degree
2026 Best Accredited Online Philosophy Bachelor's Degree Programs

2026 Best Accredited Online Philosophy Bachelor's Degree Programs
2026 Best No GRE Required Master's in Speech Pathology (MSLP) Programs

2026 Best No GRE Required Master's in Speech Pathology (MSLP) Programs
2026 How to Finish an Online Aviation Management Bachelor's Degree Faster

2026 How to Finish an Online Aviation Management Bachelor's Degree Faster
2026 Best Online EdD in Organizational Leadership for Higher Education Leadership

2026 Best Online EdD in Organizational Leadership for Higher Education Leadership
2026 How to Become a Licensed Pharmacist in Oregon

2026 How to Become a Licensed Pharmacist in Oregon
2026 Health Informatics Degree Programs That Meet State Licensure Requirements

2026 Health Informatics Degree Programs That Meet State Licensure Requirements