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
Thermally Activated Circularly Polarized Photoluminescence in a 2D Hybrid Perovskite with Giant Spin Splitting
Journal Article Advanced Functional Materials · March 16, 2026 Circularly polarized light generation and detection are critical for future spin-based technologies that inter-convert circularly polarized photons and electron spins. However, detailed mechanisms in such spin-photon interfaces are often either poorly unde ... Full text CiteHydrothermal Synthesis and Electronic and Optical Characterization of Ag<sub>2</sub>(NH<sub>4</sub>)AsS<sub>4</sub>.
Journal Article Inorganic chemistry · March 2026 Multinary chalcogenide semiconductors have the potential for use in various optoelectronic and energy-conversion applications. Understanding how to controllably synthesize these semiconductors is paramount to successful device integration. In this report, ... Full text CiteLocal Symmetry Breaking in 3D Hybrid Perovskites with 3-Hydroxyazetidinium.
Journal Article Journal of the American Chemical Society · March 2026 Two-dimensional (2D) hybrid perovskite semiconductors with nonprimary ammonium cations (NPACs) have recently attracted interest for spin-optoelectronics owing to the symmetry-breaking distortions in their crystal structures. However, implementing this desi ... Full text CiteRecent Grants
REU SITE: Collaborative Research: Nanoscale Detectives -- Elucidating the Structure and Dynamics of Hybrid Perovskite Systems
Inst. Training Prgm or CMEMentor · Awarded by National Science Foundation · 2025 - 2028DMREF: Collaborative Research: Hybrid Materials for Superfluorescent Quantum Emitters
ResearchPrincipal Investigator · Awarded by National Science Foundation · 2023 - 2027Center for Hybrid Organic-Inorganic Semiconductors for Energy (CHOISE)
ResearchCo-Principal Investigator · Awarded by National Renewable Energy Laboratory · 2019 - 2026View All Grants
Education
Friedrich-Alexander-Universität Erlangen-Nürnberg (Germany) ·
2001
Ph.D.