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Profile
| Academic position | Self employed |
|---|---|
| Research fields | Theoretical Chemistry: Electron Structure, Dynamics, Simulation,Theoretical Condensed Matter Physics |
| Keywords | deep neural networks, molecular crystals, van der Waals interaction, crystal structure prediction, density functional theory |
| Honours and awards | 2019: INCITE award funded by the U.S. Department of Energy 2019: NanoSolveIT consortium partner by European Research Councils Horizon2020 program 2018: Volker Heine Young Investigator Runner-up Award by the Psi-K Network and Nature publishing group 2017: Dell-Intel Young Investigator Award by the University of Florida’s Quantum Theory Project 2017: Junior Research Fellowship of the Thomas-Young Center for Simulation of Materials 2016: PhD prize for the best PhD thesis over all disciplines given by the University society Bonn 2015: DAAD scholarship for the International Chemical Congress of Pacific Basin Societies in Honolulu, Hawaii, USA |
Current contact address
| Country | Germany |
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| City | Darmstadt |
| Institution | Merck KGaA |
| Institute | Digital Organization |
| Homepage | http://www.gerit-brandenburg.de |
Host during sponsorship
| Prof. Dr. Angelos Michaelides | London Centre for Nanotechnology, University College London (UCL), London |
|---|---|
| Start of initial sponsorship | 01/04/2016 |
Program(s)
| 2015 | Feodor Lynen Research Fellowship Programme for Postdocs |
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Publications (partial selection)
| 2018 | J. G. Brandenburg, C. Bannwarth, A. Hansen, S. Grimme: B97-3c: a revised low-cost variant of the b97-d density functional method. In: J. Chem. Phys., 2018, 64104 |
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| 2018 | L. Iuzzolino, P. McCabeb, S. L. Price, J. G. Brandenburg: Crystal structure prediction of flexible pharmaceutical-like molecules: Density functional tight-binding as an intermediate optimization method. In: Faraday Discuss., 2018, 275-296 |
| 2018 | A. Zen, J. G. Brandenburg, J. Klime, A. Tkatchenko, D. Alfè, A. Michaelides: Fast and accurate quantum monte-carlo for molecular crystals. In: Proc. Natl. Acad. Sci. U.S.A, 2018, 1724-1729 |
| 2018 | G. Sansone and A. J. Karttunen and D. Usvyat and M. Schutz and J. G. Brandenburg and L. Maschio: On the Exfoliation and Anisotropic Thermal Expansion of Black Phosphorus. In: Chem. Commun., 2018, 9793-9796 |
| 2018 | E. Caldeweyher and J. G. Brandenburg: Simplified DFT methods for consistent structures and energies of large systems. In: J. Phys.: Condens. Matter, 2018, 213001 |
| 2018 | L. Wang and G. Kehr and C. G. Daniliuc and M. Brinkkötter and T. Wiegand and A.-L. Wübker and H. Eckert and L. Liu and J. G. Brandenburg and S. Grimme and G. Erker: Solid state frustrated Lewis pair chemistry. In: Chem. Sci., 2018, 4859-4865 |
| 2018 | M. Mortazavi, J. G. Brandenburg, R. J. Maurer, A. Tkatchenko: Structure and stability of molecular crystals with many body dispersion inclusive density functional tight binding. In: J. Phys. Chem. Lett., 2018, 399-405 |
| 2017 | S. L. Price, J. G. Brandenburg: Molecular Crystal Structure Prediction. In: G. DiLabio, A. Otero-de-la-Roza, Non-covalent interactions in Quantum Chemistry and Physics. Elsevier, 2017. 333-364 |
| 2017 | L. Liu, J. G. Brandenburg, S. Grimme: On the hydrogen activation by frustrated Lewis pairs in solid state: benchmark studies and theoretical insights. In: Phil. Trans. A, 2017, 20170006 |
| 2017 | T. Jensen, J. Potticary, L. R. Terry, H. Bruce-Macdonald, J. G. Brandenburg, S. R. Hall: Polymorphism in crystals of bis(4-bromophenyl)fumaronitrile through vapour phase growth. In: CrystEngComm, 2017, 7223-7228 |
| 2017 | Y. S. Al-Hamdani, M. Rossi, D. Alfè, T. Tsatsoulis, B. Ramberger, J. G. Brandenburg, A. Zen, G. Kresse, A. Grüneis, A. Tkatchenko, A. Michaelides: Properties of the water to boron nitride interaction: from zero to two dimensions with benchmark accuracy. In: J. Chem. Phys., 2017, 44710 |
| 2017 | S. A. Katsyuba, M. V. Vener, E. E. Zvereva, J. G. Brandenburg: The role of london dispersion interactions in strong and moderate intermolecular hydrogen bonds in the crystal and in the gas phase. In: Chem. Phys. Lett., 2017, 124-127 |
| 2017 | H. Buchholz, R. K. Hylton, J. G. Brandenburg, A. Seidel-Morgenstern, H. Lorenz, M. Stein, S. L. Price: The thermochemistry of racemic and enantiopure organic crystals for predicting enantiomer separation. In: Cryst. Growth Des., 2017, 4319-4324 |
| 2017 | J. G. Brandenburg, J. Potticary, H. A. Sparkes, S. L. Price, S. R. Hall: Thermal Expansion of Carbamazepine: Systematic Crystallographic Measurements Challenge Quantum Chemical Calculations. In: J. Phys. Chem. Lett., 2017, 4319-4324 |
| 2016 | Michele Cutini, Bartolomeo Civalleri, Marta Corno, Roberto Orlando, Jan Gerit Brandenburg, Lorenzo Maschio, Piero Ugliengo: Assessment of different quantum mechanical methods for the prediction of structure and cohesive energy of molecular crystals. In: J. Chem. Theory Comput., 2016, 3340-3352 |
| 2016 | J. G. Brandenburg, J. E. Bates, J. Sun, J. P. Perdew: Benchmark tests of a strongly constrained semilocal functional with a long-range dispersion correction. In: Phys. Rev. B, 2016, 115144-115144 |
| 2016 | Ji Chen, Andrea Zen, Jan Gerit Brandenburg, Dario Alfè, Angelos Michaelides: Evidence for stable square ice from quantum Monte Carlo. In: Phys. Rev. B, 2016, 220102(R) - 220102(R) |
| 2016 | Jan Gerit Brandenburg, Stefan Grimme: Organic crystal polymorphism: a benchmark for dispersion corrected mean field electronic structure methods. In: Acta Cryst. B, 2016, 502-513 |