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Volker Blum

Rooney Family Associate Professor of Mechanical Engineering and Materials Science
Thomas Lord Department of Mechanical Engineering and Materials Science

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.

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

In the News


Published May 20, 2025
Student Reflects on Her Experience as a Woman in Engineering
Published February 25, 2025
Three Engineering Projects to Build Greener Materials
Published January 10, 2025
How Duke Research Seeks to Make Its Impact

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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 Cite

Towards 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 Cite

Chiral 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 Cite
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Recent 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 - 2028

DMREF: Collaborative Research: Hybrid Materials for Superfluorescent Quantum Emitters

ResearchPrincipal Investigator · Awarded by National Science Foundation · 2023 - 2027

Center for Hybrid Organic-Inorganic Semiconductors for Energy (CHOISE)

ResearchCo-Principal Investigator · Awarded by National Renewable Energy Laboratory · 2019 - 2026

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Education, Training & Certifications


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