Standout Papers

DFTB3: Extension of the Self-Consistent-Charge Density-Functional Tight-Binding Method (SCC-DFTB)... 2011 2026 2016 2021 859
  1. DFTB3: Extension of the Self-Consistent-Charge Density-Functional Tight-Binding Method (SCC-DFTB) (2011)
    Michael Gaus, Qiang Cui et al. Journal of Chemical Theory and Computation
  2. Parametrization and Benchmark of DFTB3 for Organic Molecules (2012)
    Michael Gaus, Marcus Elstner et al. Journal of Chemical Theory and Computation

Immediate Impact

3 by Nobel laureates 11 from Science/Nature 58 standout
Sub-graph 1 of 22

Citing Papers

Autocatalytic Interfacial Synthesis of Self‐Standing Amide‐Linked Covalent Organic Framework Membranes
2025 StandoutNobel
Ligand-channel-enabled ultrafast Li-ion conduction
2024 StandoutNature
2 intermediate papers

Works of Michael Gaus being referenced

Parameterization of DFTB3/3OB for Sulfur and Phosphorus for Chemical and Biological Applications
2014
Parametrization and Benchmark of DFTB3 for Organic Molecules
2012 Standout
and 1 more

Author Peers

Author Last Decade Papers Cites
Michael Gaus 1086 487 407 1039 819 21 2.8k
Ivan S. Ufimtsev 1724 573 663 902 819 22 3.5k
Daniel S. Lambrecht 1359 400 484 740 625 41 2.6k
Salomon R. Billeter 888 333 306 904 1629 23 3.0k
Uri Dinur 950 486 574 636 996 42 3.0k
Jingzhi Pu 1064 331 355 634 1033 55 2.5k
Christoph Bauer 791 342 484 792 305 35 2.3k
Sebastian Spicher 891 492 619 1425 557 33 3.6k
Paul J. van Maaren 1321 400 405 805 814 20 2.9k
A. Warshel 1044 666 295 524 1355 15 2.5k
Philipp Pracht 768 419 724 1089 659 28 3.5k

All Works

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