Faculty Profiles

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

Overview

Education:

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

Lau, VWH, Moudrakovski, I, Botari, T, Weinberger, S, Mesch, MB, Duppel, V, Senker, J, Blum, V, and Lotsch, BV. "Rational design of carbon nitride photocatalysts by identification of cyanamide defects as catalytically relevant sites." Nature Communications 7 (July 8, 2016). Full Text

Theis, T, Ortiz, GX, Logan, AWJ, Claytor, KE, Feng, Y, Huhn, WP, Blum, V, Malcolmson, SJ, Chekmenev, EY, Wang, Q, and Warren, WS. "Direct and cost-efficient hyperpolarization of long-lived nuclear spin states on universal (15)N2-diazirine molecular tags." Science Advances 2.3 (March 25, 2016): e1501438-. Full Text Open Access Copy

Lejaeghere, K, Bihlmayer, G, Björkman, T, Blaha, P, Blügel, S, Blum, V, Caliste, D, Castelli, IE, Clark, SJ, Dal Corso, A, de Gironcoli, S, Deutsch, T, Dewhurst, JK, Di Marco, I, Draxl, C, Dułak, M, Eriksson, O, Flores-Livas, JA, Garrity, KF, Genovese, L, Giannozzi, P, Giantomassi, M, Goedecker, S, Gonze, X, Grånäs, O, Gross, EKU, Gulans, A, Gygi, F, Hamann, DR, Hasnip, PJ, Holzwarth, NAW, Iuşan, D, Jochym, DB, Jollet, F, Jones, D, Kresse, G, Koepernik, K, Küçükbenli, E, and Kvashnin, YO et al. "Reproducibility in density functional theory calculations of solids." Science (New York, N.Y.) 351.6280 (March 2016): aad3000-. Full Text

Ropo, M, Schneider, M, Baldauf, C, and Blum, V. "First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids." Scientific data 3 (January 2016): 160009-. Full Text

Lau, VW-H, Moudrakovski, I, Botari, T, Weinberger, S, Mesch, MB, Duppel, V, Senker, J, Blum, V, and Lotsch, BV. "Rational design of carbon nitride photocatalysts by identification of cyanamide defects as catalytically relevant sites." Nature communications 7 (January 2016): 12165-. 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

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 2015): 2338-2348. 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

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