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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 February 25, 2025
Three Engineering Projects to Build Greener Materials
Published January 10, 2025
How Duke Research Seeks to Make Its Impact
Published March 23, 2016
New Class of Molecular ‘Lightbulbs’ Illuminate MRI

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Recent Publications


Dimensionality-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 Cite

Optical 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 Cite
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Recent Grants


DMREF: Collaborative Research: Hybrid Materials for Superfluorescent Quantum Emitters

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

Design and Validation of Defect-Resistant Multinary Chalcogenide Semiconductors for Energy Conversion

ResearchCo-Principal Investigator · Awarded by Department of Energy · 2019 - 2025

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Education, Training & Certifications


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