Faculty Profiles

Volker Blum
Associate Professor in the Department of Mechanical Engineering and Materials Science



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

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

Rossi, M, Chutia, S, Scheffler, M, and Blum, V. "Validation challenge of density-functional theory for peptides-example of Ac-Phe-Ala5-LysH(+)." J Phys Chem A 118.35 (September 4, 2014): 7349-7359. Full Text

Berger, D, Logsdail, AJ, Oberhofer, H, Farrow, MR, Catlow, CRA, Sherwood, P, Sokol, AA, Blum, V, and Reuter, K. "Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework." The Journal of Chemical Physics 141.2 (July 2014): 024105-. Full Text

Schaefer, B, Pal, R, Khetrapal, NS, Amsler, M, Sadeghi, A, Blum, V, Zeng, XC, Goedecker, S, and Wang, L-S. "Isomerism and structural fluxionality in the Au26 and Au26(-) nanoclusters." ACS nano 8.7 (July 2014): 7413-7422. Full Text

Marek, A, Blum, V, Johanni, R, Havu, V, Lang, B, Auckenthaler, T, Heinecke, A, Bungartz, H-J, and Lederer, H. "The ELPA library: scalable parallel eigenvalue solutions for electronic structure theory and computational science." Journal of physics. Condensed matter : an Institute of Physics journal 26.21 (May 2, 2014): 213201-. (Review) Full Text