Short CV

Awards

  • 2024: ERC Starting Grant, Funding of 1.5 Million EUR for five years.
  • 2023: Werner von Siemens Ring Stiftung Award for Young Scientists
  • 2021: Falling Walls Finalist “Breakthrough of the Year” in the Category “Physical Sciences”.
  • 2021: Junior Group Funding at BAM of Around One Million Euros for 5 Years.
  • 2021: Offered Junior Professorship at TU Braunschweig (W1TTW2, Declined in Favor of the BAM Position).
  • 2021: Liebig Fellowship, Fonds der Chemischen Industrie (Declined in Favor of the BAM Position).
  • 2019: Poster prize, GDCh-Fachgruppe Theoretische Chemie.
    • Poster award at the Symposium on Theoretical Chemistry, University of Rostock, 2019.
  • 2019: Marie Skłodowska-Curie Individual Fellowship, European Commission.
    • Postdoctoral Fellowship
  • 2018: Travel award for the MRS Fall Meeting 2018 in Boston.
  • 2018: Poster prize, GDCh-Fachgruppe Festkörperchemie und Materialforschung.
    • Poster award at 19. Vortragstagung für Anorganische Chemie, 2018.
  • 2018: Borchers Badge, proRWTH.
    • Award for Doctorate with Distinction (summa cum laude)
  • 2014: Springorum Commemorative Coin, proRWTH.
    • Award for Master’s Degree with Distinction.
  • 2014–2016: Chemiefonds Fellowship, Fonds der Chemischen Industrie.
    • PhD Fellowship.
  • 2010–2013: Deutschland/NRW-Stipendium, RWTH Aachen University/Grünenthal.
    • Promotion of Bachelor’s and Master’s Studies for 3 Years.
  • 2010–2014: Dean’s List, RWTH Aachen University.
    • Four Years in the Top 5% of the RWTH Aachen University Students.

Publications

See https://scholar.google.com

  1. A. A. Naik, C. Ertural, N. Dhamrait, P. Benner, J. George, Sci. Data 2023, 10, 610.
  2. M. Arnold, J. Katzmann, A. Naik, A. L. Görne, T. Härtling, J. George, C. Schuster, J. Mater. Chem. C, 2022, DOI 10.1039/D2TC01773C.
  3. J. George, G. Petretto, A. Naik, M. Esters, A. J. Jackson, R. Nelson, R. Dronskowski, G.-M. Rignanese, G. Hautier, ChemPlusChem, 2022, e202200123.
  4. T. Bernges, R. Hanus, B. Wankmiller, K. Imasato, S. Lin, M. Ghidiu, M. Gerlitz, M. Peterlechner, S. Graham, G. Hautier, Y. Pei, M. R. Hansen, G. Wilde, G. J. Snyder, J. George, M. T. Agne, W. G. Zeier, Advanced Energy Materials 2022, 12, 2200717.
  5. D.F. Dahliah, G. Brunin, J. George, V.A. Ha, G.M. Rignanese, G. Hautier, “High-throughput computational search for high carrier lifetime, defect-tolerant solar absorbers”, Energy Environ. Sci.,, 2021, 14, 5057-5073
  6. J. George, “Automation in DFT-based computational materials science”, Trends in Chemistry, 2021, DOI: https://doi.org/10.1016/j.trechm.2021.07.001
  7. M. Suta, J. George, “Ungewöhnliche Oxidationsstufen, (un)gewöhnliche Maßnahmen”, Nachrichten aus der Chemie, 2021, 69, 73-78
  8. M. Markov, L. Alaerts, H. P. C. Miranda, G. Petretto, W. Chen, J. George, E. Bousquet, P. Ghosez, G.-M. Rignanese, G. Hautier, PNAS, 2021, 118, e2026020118
  9. R. Hanus, J. George, M. Wood, A. Bonkowski, Y. Cheng, D. L. Abernathy, M. E. Manley, G. Hautier, G. J. Snyder, R. P. Hermann, Materials Today Physics, 2021, 100344
  10. H. Stein, M. Suta, J George, “Die Materialsynthesemaschine”, Nachrichten aus der Chemie, 2020, 68, 66-69.
  11. J. George, G. Hautier, “The chemist versus the machine: traditional knowledge versus machine learning techniques”, Trends in Chemistry, 2021, 3, 86-95.
  12. M. Suta, J. George, “Temperatur mit Licht messen“, Nachrichten aus der Chemie, 2020, 68, 68-73
  13. J George, G Hautier, AP Bartók, G Csányi, VL Deringer, “Combining phonon accuracy with high transferability in Gaussian approximation potential models”, J. Chem. Phys., 2020, 153, 044104
  14. J. George, M. Suta, “Vorhersagen aus Hochdurchsatzstudien”, Nachrichten aus der Chemie, 2020, 68, 80-83
  15. M. Suta, J. George, “Das Rezept für schmalbandige Leuchtstoffe”, Nachrichten aus der Chemie, 2020, 68, 54-58
  16. R. Nelson, C. Ertural, J. George, V. Deringer, G. Hautier, R. Dronskowski, “LOBSTER: Local Orbital Projections, Atomic Charges, and Chemical Bonding Analysis from Projector-Augmented-Wave-Based DFT”, J Comput Chem. 2020, 41, 1931-1940.
  17. D. Waroquiers, J. George, M. Horton, S. Schenk, K. Persson, G.-M. Rignanese, X. Gonze, G. Hautier, “ChemEnv: A Fast and Robust Coordination Environment, Identification Tool”, Acta Cryst. B 2020, 76, 683.
  18. J. George, D. Waroquiers, D. Di Stefano, G. Petretto, G.-M. Rignanese, G. Hautier, “The Limited Predictive Power of the Pauling Rules”, Angew. Chem. Int. Ed. 2020, 59, 7569
  19. J. George, M. Suta, “Neue Materialien vorhersagen: Maschinelles Lernen als Werkzeug”, Nachrichten aus der Chemie 2020 68, 49-52.
  20. Z. Ma, A. Jaworski, J. George, A. Rokicinska, T. Thersleff, T. Budnyak, G. Hautier, A. J. Pell, R. Dronskowski, P. Kuśtrowski, A. Slabon, “Exploring the Origins of Improved Photocurrent by Acidic Treatment for Quaternary Tantalum-Based Oxynitride Photoanodes on the Example of CaTaO2N”, J. Phys. Chem. C, 2020, 124, 152–160
  21. R. Wang, J. George, S. K. Potts, M. Kremer, R. Dronskowski, U. Englert, “The many flavours of halogen bonds – message from experimental electron density and Raman spectroscopy”, Acta. Cryst. C 2019, C75, 1190.
  22. D. Mroz, J. George, M. Kremer, R. Wang, U. Englert, R. Dronskowski, “A new tool for validating theoretically derived anisotropic displacement parameters with experiment: directionality of prolate displacement ellipsoids”, CrystEngComm, 2019, 21, 6396
  23. W. Chen, J. George, J. B. Varley, G.-M. Rignanese, G. Hautier, “High-throughput computational discovery of In2Mn2O7 as a high Curie temperature ferromagnetic semiconductor for spintronics”, Npj Comput. Mater. 2019, 5, 72.
  24. A. Möller, J. George, R. Dronskowski, “First Full Structural Characterization of Chloro Formamidinium Salts”, Z. Anorg. Allg. Chem. 2018, 644, 1485.
  25. J. George, R. Wang, U. Englert, R. Dronskowski, “Lattice Thermal Expansion and Anisotropic Displacements in Urea, Bromomalonic Aldehyde, Pentachloropyridine, and Naphthalene”, J. Chem. Phys. 2017, 147, 074112.
  26. J. George, R. Dronskowski, “Tetrel Bonds in Infinite Molecular Chains by Electronic-Structure Theory and Their Role for Crystal Stabilization”, J. Phys. Chem. A 2017, 121, 1381–1387.
  27. V. L. Deringer, J. George, R. Dronskowski, U. Englert, “Plane-Wave Density Functional Theory Meets Molecular Crystals: Thermal Ellipsoids and Intermolecular Interactions”, Acc. Chem. Res., 2017, 50, 1231.
  28. A. Görne, J. George, J. van Leusen, R. Dronskowski, “Synthesis, Crystal Structure, Polymorphism, and Magnetism of Eu(CN3H4)2 and First Evidence of EuC(NH)3”, Inorganics, 2017, 5, 10.
  29. J. George, V. L. Deringer, A. Wang, P. Müller, U. Englert, R. Dronskowski, “Lattice Thermal Expansion and Anisotropic Displacements in α-Sulfur from Diffraction Experiments and First-Principles Theory”, J. Chem. Phys. 2016, 145, 234512.
  30. V. L. Deringer, A. Wang, J. George, R. Dronskowski, U. Englert, “Anisotropic thermal motion in transition-metal carbonyls from experiments and ab initio theory”, Dalton Trans. 2016, 45, 13680–13685.
  31. T. Motohashi, M. Kimura, Y. Masubuchi, S. Kikkawa, J. George, R. Dronskowski, “Significant Lanthanoid Substitution Effect on the Redox Reactivity of the Oxygen-Storage Material BaYMn2O5+δ”, Chem. Mater. 2016, 28, 4409–4414.
  32. A. L. Görne, J. George, J. van Leusen, G. Dück, P. Jacobs, N. K. C. Muniraju, R. Dronskowski,”Ammonothermal Synthesis, Crystal Structure, and Properties of the Ytterbium(II) and Ytterbium(III) Amides and the First Two Rare-Earth-Metal Guanidinates, YbC(NH)3 and Yb(CN3H4)3”, Inorg. Chem. 2016, 55, 6161–6168.
  33. J. George, A. Wang, V. L. Deringer, R. Wang, R. Dronskowski, U. Englert, “Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction”, CrystEngComm 2015, 17, 7414–7422.
  34. R. Missong, J. George, A. Houben, M. Hoelzel, R. Dronskowski, “Synthesis, Structure, and Properties of SrC(NH)3 , a Nitrogen-Based Carbonate Analogue with the Trinacria Motif”, Angew. Chem. Int. Ed. 2015, 54, 12171–12175.
  35. X. Liu, J. George, S. Maintz, R. Dronskowski, “β-CuN3: The Overlooked Ground-State Polymorph of Copper Azide with Heterographene-Like Layers”, Angew. Chem. Int. Ed. 2015, 54, 1954–1959.
  36. Y. Li, J. George, X. Liu, R. Dronskowski, “Synthesis, Structure Determination and Electronic Structure of Magnesium Nitride Chloride, Mg2NCl”, Z. Anorg. Allg. Chem. 2015, 641, 266–269.
  37. J. George, C. Reimann, V. L. Deringer, T. Bredow, R. Dronskowski, “On the DFT Ground State of Crystalline Bromine and Iodine”, ChemPhysChem, 2015, 16, 728–732.
  38. J. George, V. L. Deringer, R. Dronskowski, “Dimensionality of Intermolecular Interactions in Layered Crystals by Electronic-Structure Theory and Geometric Analysis”, Inorg. Chem. 2015, 54, 956–962.
  39. J. George, V. L. Deringer, R. Dronskowski, “Cooperativity of Halogen, Chalcogen, and Pnictogen Bonds in Infinite Molecular Chains by Electronic-Structure Theory”, J. Phys. Chem. A 2014, 118, 3193–3200.
  40. V. L. Deringer, F. Pan, J. George, P. Müller, R. Dronskowski, U. Englert, “Intermolecular contacts in bromomalonic aldehyde-intuition, experiment, and theory”, CrystEngComm 2014, 16, 135–138.
  41. M. Gilleßen, M. Lumeij, J. George, R. Stoffel, T. Motohashi, S. Kikkawa, R. Dronskowski, “Oxygen-Storage Materials BaYMn2O5+δ from the Quantum-Chemical Point of View”, Chem. Mater. 2012, 24, 1910–1916.
  42. J. George, Quantum Chemical Calculations on the Potential Energy Surface of Ozone. In JSC Guest Student Programme Proceedings 2011; M. Winkel, (Ed.), Technical Report FZJ-JSC-IB-2011-06, Jülich 2011.

Talks/Posters

  1. July 2022, “Mit künstlicher Intelligenz neue Materialien suchen”, Hansenberg Summit, https://www.hansenberg.de/lernen/hansenberg-summit/summit-2022.html
  2. July 2022, “Data-driven chemical understanding”, Workshop Machine Learning in Chemistry Organized by the Graduate School Chemistry in Paris, France. https://gs-chem13.sciencesconf.org/
  3. June 2022, “Automated Bonding Analysis based on Crystal Orbital Hamilton Populations”, Poster at Sommersymposium of Förderverein Chemieolympiade.
  4. May 2022, “Data-driven chemical understanding”, https://youtu.be/e7zYrz6fgog, Online Seminar for the Users of the Materials Project https://next-gen.materialsproject.org/community/seminar
  5. January 2022, “Accelerated materials discovery with data analysis and machine learning”, Seminar for Chemistry Students at TU Berlin.
  6. November 2021, “New chemical understanding with the help of automation and highthroughput computations”, Invited Lecture at the Workshop “High-throughput workflows for materials science with the Atomic Simulation Environment (ASE) and Fireworks”, Lyngby, Denmark.
  7. November 2021, “Automation in Computational Materials Science”, NOA Lecture at the FSU Jena.
  8. September 2021,”Automation in Computational Materials Science”, Invited online talk for the SALSA School 2021
  9. June 2021, “Automatisierung in der Computerchemie”, Online Workshop of the Förderverein Chemieolympiade.
  10. June 2021, “Data-driven materials discovery and understanding”, ETFS Seminar.
  11. March 2021, “Data-driven materials discovery and chemical understanding” Online Seminar in the seminar series “Online-Seminare der GDCh-Fachbruppe Festkörperchemie & Materialforschung“ .
  12. March 2021, “Towards automated bonding analysis”, Poster at the RSCPoster conference on Twitter: https://twitter.com/MolecularXtal/status/1366649932745179137?s=20
  13. December 2020, “The Limited Predictive Power of the Pauling Rules”, Contributed talk the virtual MRS Fall conference.
  14. September 2020, “Lobster in high-throughput studies.”. Virtual Lobster School, RWTH Aachen University, Germany. https://twitter.com/rdrons/status/1304439512521682944
  15. September 2020, “Combining Phonon Accuracy with High Transferability in Machine-Learned Interatomic Potentials”, Poster at the ChemicalScience Symposium of the RSC, https://chemsci20.ipostersessions.com/Default.aspx?s=8A-59-D5-A3-BC-DB-4D-D9-0E-8C-3A-A4-5E-56-16-15
  16. September 2020, “Combining Phonon Accuracy with High Transferability in Machine-Learned Interatomic Potentials”, Poster at the Virtual Conference on Inorganic Chemistry.
  17. August 2020, “Heuristics and ML Potentials for Materials Discovery.” Institute of Condensed Matter Theory and Optics of the University of Jena, Germany.
  18. July 2020: “Combining Phonon Accuracy with High Transferability in Machine-Learned Interatomic Potentials”, Poster at “Virtual Conference on Thermoelectrics”: https://www.twitter.com/MolecularXtal/status/1285364987897303042
  19. March 2020: “The Limited Predictive Power of the Pauling Rules”, Poster at Twitter Conference RSCPoster: www.twitter.com/MolecularXtal/status/1234813845782302720
  20. January 2020: “Accelerated Analysis and Discovery of Materials”, Invited Talk in the Solid-State Seminar of the Inorganic Chemistry Laboratory at University of Oxford, UK.
  21. November 2019. “Reassessing Pauling’s Rules”, Contributed talk at the 15th German Conference on Cheminformatics, Mainz, Germany.
  22. September 2019. “Reassessing Pauling’s Rules”, Poster at the Symposium on Theoretical Chemistry, University of Rostock, Germany.
  23. August 2019. “Return of the Pauling Rules”, Science Slam Contribution at the European Crystallographic Meeting in Vienna, Austria.
  24. August 2019. “Reassessing Pauling’s Rules”, Poster at the European Crystallographic Meeting in Vienna, Austria.
  25. July 2019. “Accelerated Analysis and Discovery of Materials”, Invited Talk at the CECAM workshop “Accelerating material discovery by smart high-throughput computations” at the University of Liverpool, UK.
  26. February 2019. “Reassessing Pauling’s Rules”, Poster at the 28th ATC in Frankfurt, Germany.
  27. February 2019. “Accelerated Analysis and Discovery of Materials”, Invited Talk in the context of the priority programme FLAME at the Institute of Materials Science of the Darmstadt University in Darmstadt, Germany.
  28. January 2019. “Wie Computerchemiker praktischen Chemikern helfen können”, Talk at the Workshop of the Förderverein Chemieolympiade in Düsseldorf, Germany.
  29. November 2018. “Reassessing Pauling’s Rules”, Contributed Talk at the MRS Fall Meeting 2018 in Boston, USA.
  30. September 2018. “Reassessing Pauling’s Rules”, Flash Talk and Poster at the “19. Vortragstagung für Anorganische Chemie 2018” in Regensburg, Germany.
  31. September 2018. “Ab Initio Anisotropic Displacement Parameters of Molecular Crystals”, Contributed Talk at the Symposium on Theoretical Chemistry in Halle (Saale), Germany.
  32. September 2018. “How Computational Chemistry Can Help Crystallographers and Practical Chemists”, Invited Talk at the 3. Meeting of the German Young Crystallographers in Aachen, Germany.
  33. May 2018. “Computergestützte Suche nach neuen Materialien”, Talk for Students at the Boarding School “Internatsschule Schloss Hansenberg“ in Geisenheim-Johannisberg, Germany.
  34. April 2017. “Anisotropic Displacement Parameters from Electronic-Structure Theory”, Invited Seminar Talk of the NAPS Institute at the Université catholique de Louvain in Louvain-la-Neuve, Belgium.
  35. March 2017. “Anisotropic Displacement Parameters from Electronic-Structure Theory: How to Perform and What to Compare”, Poster at the Annual Meeting of the German Crystallographic Society in Karlsruhe, Germany.
  36. January 2017. “Ab initio Auslenkungsparameter”, Talk at the Workshop of the Förderverein Chemieolympiade at the DECHEMA in Frankfurt, Germany.
  37. June 2016. “Fictitious Allotropes of Crystalline Bromine and Iodine in DFT”, Poster at the Workshop “iPolymorphs” at the Materials Physics Center in Donostia, Spain.
  38. March 2016. “Let Them Swing”, Talk at the “Hemdsärmelkolloqium” at the KIT in Karlsruhe, Germany.
  39. July 2015. “Anisotropic Displacement Parameters from Dispersion-Corrected DFT-Methods”, Poster at the “Hands-On Workshop Density-Functional Theory and Beyond” at the Fritz-Haber-Institut in Berlin, Germany.
  40. January 2015, “Intermolekulare Wechselwirkungen in kristallinen Netzwerken”, Talk at the Workshop of the Förderverein Chemieolympiade at the TU Dresden, Germany.
  41. January 2014 “Quantenchemische Untersuchungen intermolekularer Wechselwirkungen des Brommalonaldehyds”, Talk at the Workshop of the Förderverein Chemieolympiade at the Universität Münster, Germany.

Programming Projects

  • Currently:
    1. Contributions to the pymatgen library
      • Classes for the evaluation/plotting of the output files from Lobster - a tool for bonding analysis in crystals
      • A tutorial on the evaluation of the output files from Lobster - a tool for bonding analysis in crystals
      • A tutorial on the use of the ChemEnv package included in pymatgen
    2. Contributions to atomate2 and atomate
      • Lobster and phonon workflow
  • During my Doctorate and currently:
    1. Development of the Molecular Toolbox - a package that converts anisotropic displacement parameters from one parametrization to another
    2. Development of AtomicContributions - a package to visualize the atomic contributions to each phonon mode
    3. Development of IR - a package to calculate IR spectra with Phonopy and VASP

Reviewer for: