Maximilian Kubillus

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	Sve	Od 2019.
Citati	502	380
H-indeks	5	5
i10-indeks	5	5

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Jan ŘezáčResearcher at Institute of Organic Chemistry and Biochemistry AS CRPotvrđena adresa e-pošte na uochb.cas.cz
Qiang CuiBoston University (previously University of Wisconsin, Madison)Potvrđena adresa e-pošte na bu.edu
Sergei NoskovFull Professor, Centre for Molecular Simulations, University of CalgaryPotvrđena adresa e-pošte na ucalgary.ca
Dennis R. SalahubProfessor Emeritus of Chemistry, University of CalgaryPotvrđena adresa e-pošte na ucalgary.ca
Benoit RouxProfessor of Biochemistry, The university of ChicagoPotvrđena adresa e-pošte na uchicago.edu

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Maximilian Kubillus

Graduate Student, Karlsruhe Institute of Technology (KIT)

Potvrđena adresa e-pošte na kit.edu - Početna stranica

Theoretical Chemistry Quantum Chemistry Theoretical Biophysics Density Functional Theory Density Functional Tight Binding


Naslov Poredaj po navodima Poredaj po godini Poredaj po naslovu	Citirano Citirano	Godina
Parameterization of the DFTB3 method for Br, Ca, Cl, F, I, K, and Na in organic and biological systems M Kubillus, T Kubar, M Gaus, J Rezac, M Elstner Journal of chemical theory and computation 11 (1), 332-342, 2015	271	2015
Parametrization and benchmark of long-range corrected DFTB2 for organic molecules VQ Vuong, J Akkarapattiakal Kuriappan, M Kubillus, JJ Kranz, T Mast, ... Journal of Chemical Theory and Computation 14 (1), 115-125, 2018	86	2018
Generalized density-functional tight-binding repulsive potentials from unsupervised machine learning JJ Kranz, M Kubillus, R Ramakrishnan, OA von Lilienfeld, M Elstner Journal of chemical theory and computation 14 (5), 2341-2352, 2018	73	2018
Quantum effects in cation interactions with first and second coordination shell ligands in metalloproteins V Ngo, MC da Silva, M Kubillus, H Li, B Roux, M Elstner, Q Cui, ... Journal of Chemical Theory and Computation 11 (10), 4992-5001, 2015	57	2015
Cation solvation with quantum chemical effects modeled by a size-consistent multi-partitioning quantum mechanics/molecular mechanics method HC Watanabe, M Kubillus, T Kubař, R Stach, B Mizaikoff, H Ishikita Physical Chemistry Chemical Physics 19 (27), 17985-17997, 2017	15	2017
Parametrization and benchmark of the range separated LC-DFTB2 method for organic molecules VQ Vuong, J Kuriappan, M Kubillus, J Kranz, T Mast, T Niehaus, S Irle, ... Abstracts of Papers of the American Chemical Society 255, 2018		2018

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