Associate Professor in the Department of Mechanical Engineering and Materials Science
Volker Blum heads the "Ab initio materials simulations" group at Duke University. Dr. Blum's research focuses on first-principles computational materials science: using the fundamental laws of quantum mechanics to predict the properties of real materials from the atomic scale on upwards.
Specific focus areas are interface and nanoscale systems with electronic and energy applications, as well as work on molecular structure and spectroscopy. He is actively working on novel semiconductor materials, including hybrid organic-inorganic perovskites and complex chalcogenide materials. Both groups of materials hold promise as absorbers for photovoltaics (i.e., solar cells), as materials for spin-based electronics and optoelectronics, and other semiconductor applications.
Dr. Blum is the coordinator of a major computer package for computational materials and molecular science based on electronic structure theory, FHI-aims. Work in his group is interdisciplinary (touching areas of physics and chemistry in addition to materials science), with opportunities for international collaboration and exchange.
Specific focus areas are interface and nanoscale systems with electronic and energy applications, as well as work on molecular structure and spectroscopy. He is actively working on novel semiconductor materials, including hybrid organic-inorganic perovskites and complex chalcogenide materials. Both groups of materials hold promise as absorbers for photovoltaics (i.e., solar cells), as materials for spin-based electronics and optoelectronics, and other semiconductor applications.
Dr. Blum is the coordinator of a major computer package for computational materials and molecular science based on electronic structure theory, FHI-aims. Work in his group is interdisciplinary (touching areas of physics and chemistry in addition to materials science), with opportunities for international collaboration and exchange.
Appointments and Affiliations
- Associate Professor in the Department of Mechanical Engineering and Materials Science
- Associate Professor of Chemistry
Contact Information
- Email Address: volker.blum@duke.edu
- Websites:
Education
- Ph.D. Friedrich-Alexander-Universität Erlangen-Nürnberg (Germany), 2001
Research Interests
Computational predictions and understanding of new materials related to energy and electronics, as well as molecular structure and spectroscopies, based on the "first principles" of quantum mechanics. Much of this work is directly connected to ongoing developments of new algorithms and computational tools in the all-electron electronic structure package "FHI-aims" and in the broader “ELSI” infrastructure, both led by Volker Blum.Awards, Honors, and Distinctions
- August-Wilhelm-Scheer Visiting Professorship. Technical University of Munich. 2016
- Outstanding Referee of the Physical Review journals. APS. 2016
- Staedtler Foundation Prize. Staedtler Foundation. 2002
Courses Taught
- CHEM 995: Graduate Training Internship
- ME 221L: Structure and Properties of Solids
- ME 394: Engineering Undergraduate Fellows Projects
- ME 493: Engineering Undergraduate Fellows Projects
- ME 494: Engineering Undergraduate Fellows Projects
- ME 511: Computational Materials Science
- ME 555: Advanced Topics in Mechanical Engineering
- ME 560S: Materials Science and Engineering Seminar
- ME 591: Research Independent Study in Mechanical Engineering or Material Science
- ME 592: Research Independent Study in Mechanical Engineering or Material Science
In the News
- Pratt Researchers Join National Effort to Unlock New Energy Technologies (Aug 2…
- International Collaboration Demonstrates Reliability of Quantum Simulations (Ma…
- New Class of Molecular ‘Lightbulbs’ Illuminate MRI (Mar 23, 2016)
- Pratt Researchers to Harness Computational Power to Solve Time-Intensive Calcul…
- Energy Initiative Provides First Round of Research Seed Funding (Apr 16, 2014)
Representative Publications
- Knuth, F., C. Carbogno, V. Atalla, V. Blum, and M. Scheffler. “All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals.” Computer Physics Communications 190 (May 1, 2015): 33–50. https://doi.org/10.1016/j.cpc.2015.01.003.