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
Out-of-Plane Rashba Spin-Splitting and Structure-Property Relationships in Layered Cu2AMVSe4Chalcogenides (A = K, Rb, Cs; MV= V, Nb, Ta)
Journal Article Chemistry of Materials · September 9, 2025 Recent research targeting functional multinary chalcogenide semiconductors (MCSs) has successfully demonstrated the tailoring of structure-property-application relationships within the I2-II-IV-X4material family (Roman numerals I, II, ... Full text CiteTowards an interoperable perovskite description or how to keep track of 300 perovskite ions.
Journal Article Nature communications · September 2025 Hybrid perovskites are interesting optoelectronic materials. The perovskite ABX3 structure offers a vast compositional space, and we have identified over 300 perovskite ions. This flexibility enables tuneable properties and has significantly con ... Full text CiteChiral Phonon-Induced Spin Transport via Microscopic Barnett Effect.
Journal Article Physical review letters · August 2025 Chiral phonons, which are characterized by rotational atomic motion, offer a unique mechanism for transferring angular momentum from phonons to electron spins and other angular momentum carriers. In this Letter, we present a theoretical investigation into ... 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, Training & Certifications
Friedrich-Alexander-Universität Erlangen-Nürnberg (Germany) ·
2001
Ph.D.