Professor Linn Leppert PhD

Professor Linn Leppert

School of Metallurgy and Materials
Professor of Theoretical Materials Science
125th Anniversary Chair

Contact details

Address
University of Birmingham
Edgbaston
Birmingham
B15 2TT
UK

A physicist by training, Linn Leppert works at the intersection of materials science, physics and chemistry, developing numerical simulation methods for understanding excited electronic states and their interactions in complex semiconductors, with applications ranging from optoelectronics to quantum technologies.

Discover more information about the research group.

Qualifications

  • University Teaching Qualification (BKO), University of Twente, 2022
  • PhD in Physics (summa cum laude), University of Bayreuth, 2013
  • Certificate Elite Network Bavaria Graduate Program Macromolecular Science, 2012
  • Diploma in Physics, University of Bayreuth, 2009

Biography

Linn Leppert is a computational physicist working at the intersection of materials science, physics and chemistry. She studied physics at the University of Bayreuth, Germany, graduating with a Diploma in Physics in 2009. She remained at Bayreuth for her doctoral work, completing her PhD in Physics summa cum laude in 2013 under the supervision of Professor Stephan Kümmel. Her dissertation, on the structural and electronic properties of transition metal nanoalloys and magnetic compounds, was awarded the Dissertation Award of the City of Bayreuth.

Following her doctorate, she was awarded a Feodor-Lynen Postdoctoral Fellowship from the Alexander von Humboldt Foundation and joined the group of Professor Jeff Neaton at the University of California, Berkeley and Lawrence Berkeley National Lab. There, she broadened her research towards the electronic and excited-state structure of complex semiconductors and their optical properties using many-body perturbation theory.

In 2017, she returned to the University of Bayreuth as a Principal Investigator with a grant from the Elite Network of Bavaria, supporting her independent research group. In 2020, she moved to the University of Twente in the Netherlands as Assistant Professor with subsequent promotion to Associate Professor. At Twente, she attracted significant competitive funding and major high-performance computing allocations through INCITE, PRACE and EuroHPC. She also received the Education Prize of the Applied Physics program in 2025 for co-designing and coordinating a new Minor in Sustainability and Climate Physics. She joined University of Birmingham in April 2026 as 125th Anniversary Chair and Professor of Theoretical Materials Science in the School of Metallurgy and Materials.

Linn’s research focuses on the development and application of numerical simulation methods, in particular many-body perturbation theory and density functional theory, for understanding excited electronic states and their interactions in complex semiconductor materials, with applications in optoelectronics, photovoltaics and quantum technologies.

Beyond her research, Linn has been active in the broader scientific community. She was a member of the Young Academy of Europe from 2018, serving on its board from 2021 to 2024 and subsequently joining its Advisory Board. She is a founding member of Computational Sciences NL, where she served on the Strategy Board as treasurer. She has also engaged in science policy and outreach, including published work on gender equity in academia.

Postgraduate supervision

The research group develops and applies first-principles simulation methods, in particular many-body perturbation theory in the GW approximation combined with the Bethe-Salpeter equation (GW+BSE), to study excited electronic states and light-matter interactions in complex semiconductors. We combine these methods with machine-learned interatomic potentials which allow us to describe structural dynamics and dynamic disorder. A recent focus of the group are two-dimensional halide perovskites, a materials family whose optoelectronic properties can be tuned through composition, structure, and temperature in ways that are not yet atomistically understood. Current research directions include the development of scalable GW+BSE workflows for coupled spin-exciton-lattice dynamics, embedding strategies for treating excitons in structurally realistic environments, and first-principles predictions of optoelectronic observables such as radiative lifetimes, linewidths, and polarisation. These topics sit at the interface of condensed matter physics, quantum chemistry, and materials science, with applications in optoelectronics and quantum technologies.

Prospective doctoral students with a strong background in physics, chemistry or materials science and an interest in computational and theoretical approaches are encouraged to get in touch.

Publications

Recent publications

Article

Fykouras, K & Leppert, L 2025, 'Controlling Excitons in Quasi-1D Perovskites by Dielectric Screening and Connectivity', PRX Energy, vol. 4, no. 4, 043004. https://doi.org/10.1103/5332-z74l

Lang, M, Fykouras, K, Döblinger, M, Henrotte, O, Müller-Buschbaum, P, Cortés, E, Stolarczyk, JK, Leppert, L & Akkerman, QA 2025, 'Emergence of Intrinsic One-Dimensional Excitons in Colloidal Bi13S18I2 Nanocrystals', Journal of Physical Chemistry Letters, vol. 16, no. 39, pp. 10265-10272. https://doi.org/10.1021/acs.jpclett.5c02579

Boeije, Y, Lie, F, Dubajić, M, Garip, E, Maufort, A, Biega, RI, Lenaers, S, Sauty, M, Ghosh, P, Radić, A, Loher, A, La Magna, P, Salway, H, Ashoka, A, Chua, XW, Gu, Q, Van Hecke, K, Lutsen, L, Vanderzande, D, Rao, A, Van Gompel, WTM, Leppert, L & Stranks, SD 2025, 'Molecular Engineering of Interlayer Exciton Delocalization in 2D Perovskites', Journal of the American Chemical Society, vol. 147, no. 35, pp. 31541-31557. https://doi.org/10.1021/jacs.5c05621

Solomon, JS, Soto-Montero, T, Birkhölzer, YA, Cunha, DM, Soltanpoor, W, Ledinský, M, Orlov, N, Garnett, EC, Forero-Correa, N, Reyes-Lillo, SE, Haward, TB, Lilly, JRS, Herz, LM, Koster, G, Rijnders, G, Leppert, L & Morales-Masis, M 2025, 'Room-temperature epitaxy of α-CH3NH3PbI3 halide perovskite by pulsed laser deposition', Nature Synthesis, vol. 4, no. 4, pp. 432-443. https://doi.org/10.1038/s44160-024-00717-z

Jöbsis, HJ, Fykouras, K, Reinders, JWC, van Katwijk, J, Dorresteijn, JM, Arens, T, Vollmer, I, Muscarella, LA, Leppert, L & Hutter, EM 2024, 'Conduction Band Tuning by Controlled Alloying of Fe into Cs2AgBiBr6 Double Perovskite Powders', Advanced Functional Materials, vol. 34, no. 50, 2306106. https://doi.org/10.1002/adfm.202306106

Biega, R-I, Jöbsis, HJ, Gijsberg, Z, Huskens, M, Hutter, EM & Leppert, L 2024, 'Halide Mixing in Cs2AgBi(IxBr1-x)6 Double Perovskites: A Pathway to Tunable Excitonic Properties', Journal of Physical Chemistry C, vol. 128, no. 35, pp. 14767-14775. https://doi.org/10.1021/acs.jpcc.4c04453

Volpert, S, Hashemi, Z, Foerster, JM, Marques, MRG, Schelter, I, Kümmel, S & Leppert, L 2023, 'Delocalized electronic excitations and their role in directional charge transfer in the reaction center of Rhodobacter sphaeroides', Journal of Chemical Physics, vol. 158, no. 19, 195102. https://doi.org/10.1063/5.0139691

Biega, R-I, Bokdam, M, Herrmann, K, Mohanraj, J, Skrybeck, D, Thelakkat, M, Retsch, M & Leppert, L 2023, 'Dynamic Distortions of Quasi-2D Ruddlesden-Popper Perovskites at Elevated Temperatures: Influence on Thermal and Electronic Properties', Journal of Physical Chemistry C, vol. 127, no. 19, pp. 9183-9195. https://doi.org/10.1021/acs.jpcc.3c01634

Chapter

Leppert, L 2024, First Principles Atomistic Theory of Halide Perovskites. in Y Zhou & I Mora-Seró (eds), Halide Perovskite Semiconductors: Structures, Characterization, Properties, and Phenomena. Wiley-Blackwell, pp. 215-250. https://doi.org/10.1002/9783527829026.ch8

Comment/debate

Kerner, RA, White, KP, Balasubramaniam, N, Ye, JY, Addison, B, Bramante, R, Fykouras, K, Leppert, L, Toney, MF, Larson, BW, Wheeler, LM, Rand, BP, Berry, JJ & Zhu, K 2026, 'Why are Lead Iodide-Based Perovskite Precursor Inks Yellow?', Advanced Energy Materials, vol. 16, no. 1, e02813. https://doi.org/10.1002/aenm.202502813

Letter

Lee, D-K, Fykouras, K, Kodalle, T, Moral, RF, Schwartz, CP, Tamura, N, Lawler, KV, Leppert, L & Sutter-Fella, CM 2025, 'Strain Engineering: Reduction of Microstrain at the Perovskite Surface via Alkali Metal Chloride Treatment Enhances Stability', ACS Energy Letters, vol. 10, no. 2, pp. 1039-1049. https://doi.org/10.1021/acsenergylett.4c03334

Lechifflart, P, Biega, R-I & Leppert, L 2025, 'Structural distortions control scaling of exciton binding energies in two-dimensional Ag/Bi double perovskites', Nanoscale, vol. 17, no. 41, pp. 23924-23929. https://doi.org/10.1039/d5nr03010b

Biega, R-I, Chen, Y, Filip, MR & Leppert, L 2023, 'Chemical Mapping of Excitons in Halide Double Perovskites', Nano letters, vol. 23, no. 17, pp. 8155-8161. https://doi.org/10.1021/acs.nanolett.3c02285

Review article

Filip, MR & Leppert, L 2024, 'Halide perovskites from first principles: from fundamental optoelectronic properties to the impact of structural and chemical heterogeneity', Electronic Structure, vol. 6, no. 3, 033002. https://doi.org/10.1088/2516-1075/ad5898

Short survey

Leppert, L 2024, 'Excitons in metal-halide perovskites from first-principles many-body perturbation theory', Journal of Chemical Physics, vol. 160, no. 5, 050902. https://doi.org/10.1063/5.0187213

View all publications in research portal