Faculty Profiles

Volker Blum



Ph.D., Friedrich-Alexander-Universität Erlangen-Nürnberg (Germany) 2001

Supady, A, Blum, V, and Baldauf, C. "First-Principles Molecular Structure Search with a Genetic Algorithm." Journal of Chemical Information and Modeling 55.11 (November 2, 2015): 2338-2348. Full Text

Pinheiro, M, Caldas, MJ, Rinke, P, Blum, V, and Scheffler, M. "Length dependence of ionization potentials of transacetylenes: Internally consistent DFT/ approach." Physical Review B 92.19 (November 2015). Full Text

Ihrig, AC, Wieferink, J, Zhang, IY, Ropo, M, Ren, X, Rinke, P, Scheffler, M, and Blum, V. "Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory." New Journal of Physics 17.9 (September 1, 2015): 093020-093020. Full Text Open Access Copy

Levchenko, SV, Ren, X, Wieferink, J, Johanni, R, Rinke, P, Blum, V, and Scheffler, M. "Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework." Computer Physics Communications 192 (July 2015): 60-69. Full Text

Knuth, F, Carbogno, C, Atalla, V, Blum, V, and Scheffler, M. "All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals." Computer Physics Communications 190 (May 2015): 33-50. Full Text

Nemec, L, Lazarevic, F, Rinke, P, Scheffler, M, and Blum, V. "Why graphene growth is very different on the C face than on the Si face of SiC: Insights from surface equilibria and the reconstruction." Physical Review B 91.16 (April 2015). Full Text

Sforzini, J, Nemec, L, Denig, T, Stadtmüller, B, Lee, T-L, Kumpf, C, Soubatch, S, Starke, U, Rinke, P, Blum, V, Bocquet, FC, and Tautz, FS. "Approaching truly freestanding graphene: the structure of hydrogen-intercalated graphene on 6H-SiC(0001)." Physical review letters 114.10 (March 10, 2015): 106804-. Full Text

Schubert, F, Rossi, M, Baldauf, C, Pagel, K, Warnke, S, von Helden, G, Filsinger, F, Kupser, P, Meijer, G, Salwiczek, M, Koksch, B, Scheffler, M, and Blum, V. "Exploring the conformational preferences of 20-residue peptides in isolation: Ac-Ala19-Lys + H(+)vs. Ac-Lys-Ala19 + H(+) and the current reach of DFT." Physical chemistry chemical physics : PCCP 17.11 (March 2015): 7373-7385. Full Text

Schubert, F, Pagel, K, Rossi, M, Warnke, S, Salwiczek, M, Koksch, B, von Helden, G, Blum, V, Baldauf, C, and Scheffler, M. "Native like helices in a specially designed β peptide in the gas phase." Physical chemistry chemical physics : PCCP 17.7 (February 2015): 5376-5385. Full Text

Lau, VW-H, Mesch, MB, Duppel, V, Blum, V, Senker, J, and Lotsch, BV. "Low-molecular-weight carbon nitrides for solar hydrogen evolution." Journal of the American Chemical Society 137.3 (January 13, 2015): 1064-1072. Full Text