Fabian Faulstich

Mathematical Sciences
Assistant Professor, Eliza Ricketts Foundation Career Development Chair

About

Dr. Faulstich earned his B.Sc. in Physics and Mathematics, as well as his M.Sc. in Mathematics, from the Technical University of Berlin. He obtained his Ph.D. in Computational Chemistry and Applied Mathematics from the University of Oslo, supervised by Simen Kvaal, Trygve Helgaker, and Andre Laestadius.

Following his Ph.D., he pursued a postdoctoral position at the Department of Mathematics at the University of California, Berkeley, where he worked under Lin Lin. In August 2023, he was appointed as an Assistant Professor in the Department of Mathematical Sciences, where he now holds the Eliza Ricketts Foundation Career Development Chair. As of January 1, 2026, he holds a joint appointment as Assistant Professor in the Department of Chemistry and Chemical Biology.

Education & Training

Ph.D. Chemistry & Applied Mathematics, University of Oslo, 2020

M.Sc. Mathematics, Technical University of Berlin, 2017

B.Sc. Physics, Technical University of Berlin, 2016

B.Sc. Mathematics, Technical University of Berlin, 2015

Research

Dr. Faulstich's research focus is on the development and implementation of new numerical methods for quantum simulation and quantum embedding. More generally, he is interested in the mathematical analysis and the development of electronic-structure methods in quantum chemistry and quantum computing.

Primary Research Focus
High-Dimensional Scientific Computing
Other Focus Areas

Numerical Algebraic Geometry, Probability Theory, Optimization, Fast Algorithms 

Publications
Google Scholar

Preprints:

  1. T. Ayral, E. Cances, F. M. Faulstich, L. Lin, A. Negre, A quadratic Grassmann manifold optimization problem arising from quantum embedding methods, arXiv:2603.17080
  2. F. M. Faulstich, V. Galgano, E. Neuhaus, I. Portakal, On the Coupled Cluster Doubles Truncation Variety of Four Electrons, arXiv:2602.16580
  3. K. Pierce, M. T. Aziz, A. Shee, F. M. Faulstich, A CPD-enabled low-scaling environment solver in a coupled cluster based static quantum embedding theory, arXiv:2602.15129
  4. A. Shee, F. M. Faulstich, K. B. Whaley, L. Lin, M. Head-Gordon, Consistent inclusion of triple substitutions within a coupled cluster based static quantum embedding theory, arXiv:2602.12330
  5. F. M. Faulstich, S. Sverrisdottir, Algebraic Geometry for Spin-Adapted Coupled Cluster Theory, arXiv:2601.16646
  6. O. M. Raisuddin, H. Zhang, M. Motta, F. M. Faulstich, From Promise to Practice: Benchmarking Quantum Chemistry on Quantum Hardware, arXiv:2512.01012
  7. A. Negre, F. M. Faulstich, R. Kim, T. Ayral, L. Lin, E. Cances, New perspectives on Density-Matrix Embedding Theory, arXiv:2503.09881
  8. F. M. Faulstich, Y. Khoo, K. Li, Augmented Lagrangian method for coupled-cluster, arXiv:2403.16381

Peer-Reviewed Publications

  1. E. Cances, F. M. Faulstich, A. Kirsch, E. Letournel, A. Levitt, Analysis of density matrix embedding theory around the non-interacting limit, Communications on Pure and Applied Mathematics, (2025)
  2. A. Shee, F. M. Faulstich, K. B. Whaley, L. Lin, M. Head-Gordon, A static quantum embedding scheme based on coupled cluster theory, The Journal of Chemical Physics, (2024)
  3. S. Sverrisdottir, F. M. Faulstich, Exploring Ground and Excited States via Single Reference Coupled-Cluster Theory and Algebraic Geometry, Journal of Chemical Theory and Computation, (2024)
  4. F. M. Faulstich, B. Sturmfels, S. Sverrisd´ottir, Algebraic Varieties in Quantum Chemistry, Foundations of Computational Mathematics, (2024): 1–32
  5. F. M. Faulstich, Recent mathematical advances in coupled cluster theory, International Journal of Quantum Chemistry, 124.13 (2024): e27437
  6. F. M. Faulstich, and M. Oster, Coupled cluster theory: Towards an algebraic geometry formulation, SIAM Journal on Applied Algebra and Geometry, 8 (1), (2024): 138-188
  7. F. M. Faulstich, H. E. Kristiansen, M. A. Csirik, S. Kvaal, T. Bondo Pedersen, and A. Laestadius, The S-diagnostic—an a posteriori error assessment for single-reference coupled-cluster methods, Journal of Physical Chemistry A 2023, 127, 43: 9106–9120
  8. F. M. Faulstich, and A. Laestadius, Homotopy continuation methods for coupled-cluster theory in quantum chemistry, Molecular Physics, e2258599 (2023)
  9. F. M. Faulstich, K. D. Stubbs, Q. Zhu, T. Soejima, R. Dilip, H. Zhai, R. Kim, M P. Zaletel, G. K.-L. Chan and L. Lin, Interacting models for twisted bilayer graphene: a quantum chemistry approach, Physical Review
    B 107 (23), 235123 (Editor’s suggestion)
  10. F. M. Faulstich, X. Wu and L. Lin, Discontinuous Galerkin method with Voronoi partitioning for Quantum
    Simulation of Chemistry, Research in the Mathematical Sciences (Springer) 19, 68 (2022)
  11. F. M. Faulstich, R. Kim, Z.-H. Cui, Z. Wen, G. K.-L. Chan and L. Lin, Pure state v-representability of
    density matrix embedding theory, Journal of chemical theory and computation 18.2 (2022): 851-864.
  12. J. R. McClean, F. M. Faulstich, Q. Zhu, B. O’Gorman, S. R. White, R. Babbush and L. Lin, Discontinuous
    Galerkin discretization for quantum simulation of chemistry, New Journal of Physics 22.9 (2020): 093015
  13. F. M. Faulstich, A. Laestadius, O. Legeza, R. Schneider, S. Kvaal, Analysis of the tailored coupled-cluster
    method in quantum chemistry, SIAM Journal on Numerical Analysis 57.6 (2019): 2579-2607.
  14. F. M. Faulstich, M. M´at´e, A. Laestadius, M. A. Csirik, L. Veis, A. Antalik, J. Brabec, R. Schneider,
    J. Pittner, S. Kvaal, O. Legeza, Numerical and Theoretical Aspects of the DMRG-TCC Method Exemplified
    by the Nitrogen Dimer, Journal of chemical theory and computation 15.4 (2019): 2206-2220.
  15. A. Laestadius, F. M. Faulstich, The coupled-cluster formalism - a mathematical perspective, Molecular
    Physics (2019): 1-12.
  16. F. M. Faulstich, A quadratic error estimate for the coupled-cluster method tailored by tensor network states,
    Oberwolfach Reports, Volume 15, Issue 1, (2018): 670–673.
  17. F. M. Faulstich, M. Kraft and A. Carmele, Unraveling mirror properties in time-delayed quantum feedback
    scenarios, Journal of Modern Optics 65.11 (2018): 1323-1331.

 

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