Overview
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.
Current Appointments & Affiliations
Rooney Family Associate Professor of Mechanical Engineering and Materials Science
·
2023 - Present
Thomas Lord Department of Mechanical Engineering and Materials Science,
Pratt School of Engineering
Associate Professor in the Thomas Lord Department of Mechanical Engineering and Materials Science
·
2017 - Present
Thomas Lord Department of Mechanical Engineering and Materials Science,
Pratt School of Engineering
Associate Dean for Research and Infrastructure in the Pratt School of Engineering
·
2024 - Present
Pratt School of Engineering
Associate Professor of Chemistry
·
2022 - Present
Chemistry,
Trinity College of Arts & Sciences
Recent Publications
Roadmap on Advancements of the FHI-aims Software Package
Preprint · April 30, 2025 Link to item CiteDimensionality-Controlled Confinement Effects for Tunable Optoelectronic Properties in Quasi-1D Hybrid Perovskites.
Journal Article ACS nano · April 2025 Hybrid perovskite dimensional engineering enables the creation of one- to three-dimensional (1D to 3D) networks of corner-sharing metal halide octahedra interspersed by organic cations, offering opportunities to tailor semiconducting properties through qua ... Full text CiteOptical Activity of Chiral Excitons.
Journal Article Advanced materials (Deerfield Beach, Fla.) · February 2025 Recent activity in the area of chiroptical phenomena has been focused on the connection between structural asymmetry, electron spin configuration and light/matter interactions in chiral semiconductors. In these systems, spin-splitting phenomena emerge due ... Full text CiteRecent Grants
DMREF: Collaborative Research: Hybrid Materials for Superfluorescent Quantum Emitters
ResearchPrincipal Investigator · Awarded by National Science Foundation · 2023 - 2027REU SITE: Collaborative Research: Nanoscale Detectives -- Elucidating the Structure and Dynamics of Hybrid Perovskite Systems
ResearchMentor · Awarded by National Science Foundation · 2021 - 2025Design and Validation of Defect-Resistant Multinary Chalcogenide Semiconductors for Energy Conversion
ResearchCo-Principal Investigator · Awarded by Department of Energy · 2019 - 2025View All Grants
Education, Training & Certifications
Friedrich-Alexander-Universität Erlangen-Nürnberg (Germany) ·
2001
Ph.D.