Publications

Find publications and preprints authored by people from our working group

Preprints

  1. Ehrlacher, V., Legoll, F., Stamm, B., & Xiang, S. (2023). Embedded corrector problems for homogenization in linear elasticity. https://doi.org/10.48550/arXiv.2307.03537
  2. Theisen, L., & Stamm, B. (2023). A Scalable Two-Level Domain Decomposition Eigensolver for Periodic Schrödinger Eigenstates in Anisotropically Expanding Domains. https://doi.org/10.48550/arXiv.2311.08757
  3. Dusson, G., Garrigue, L., & Stamm, B. (2023). A multipoint perturbation formula for eigenvalue problems. https://doi.org/10.48550/arXiv.2305.08151
  4. Jha, A., & Stamm, B. (2023). Domain decomposition method for Poisson--Boltzmann equations based on Solvent Excluded Surface. https://doi.org/10.48550/arXiv.2309.06862
  5. Claeys, X., Hassan, M., & Stamm, B. (2021). Continuity estimates for Riesz potentials on polygonal boundaries. arXiv. https://doi.org/10.48550/ARXIV.2107.10713

Publications

  1. 2023

    1. E. Cancès, M. F. Herbst, G. Kemlin, A. Levitt, and B. Stamm, “Numerical stability and efficiency of response property calculations in density functional theory,” Letters in Mathematical Physics, vol. 113, no. 1, Art. no. 1, Feb. 2023, doi: 10.1007/s11005-023-01645-3.
    2. F. Pes, É. Polack, P. Mazzeo, G. Dusson, B. Stamm, and F. Lipparini, “A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born–Oppenheimer Molecular Dynamics,” The Journal of Physical Chemistry Letters, pp. 9720--9726, Oct. 2023, doi: 10.1021/acs.jpclett.3c02098.
    3. F. Bamer, F. Ebrahem, B. Markert, and B. Stamm, “Molecular Mechanics of Disordered Solids,” Archives of computational methods in engineering, vol. 30, no. 3, Art. no. 3, 2023, doi: 10.1007/s11831-022-09861-1.
    4. G. Dusson, I. M. Sigal, and B. Stamm, “Analysis of the Feshbach-Schur method for the Fourier spectral discretizations of Schrödinger operators,” Mathematics of computation, vol. 92, no. 340, Art. no. 340, 2023, doi: 10.1090/mcom/3774.
    5. A. Jha, M. Nottoli, A. Mikhalev, C. Quan, and B. Stamm, “Linear scaling computation of forces for the domain-decomposition linear Poisson–Boltzmann method,” The Journal of Chemical Physics, Mar. 2023, doi: 10.1063/5.0141025.
    6. P. Brehmer, M. F. Herbst, S. Wessel, M. Rizzi, and B. Stamm, “Reduced basis surrogates for quantum spin systems based on tensor networks,” Physical Review E, Aug. 2023, doi: 10.1103/PhysRevE.108.025306.
    7. A. Jha, V. John, and P. Knobloch, “Adaptive Grids in the Context of Algebraic Stabilizations for Convection-Diffusion-Reaction Equations,” SIAM Journal on Scientific Computing, vol. 45, no. 4, Art. no. 4, Aug. 2023, doi: 10.1137/21m1466360.
    8. M. Nottoli et al., “QM/AMOEBA description of properties and dynamics of embedded molecules,” WIREs Computational Molecular Science, vol. 13, no. 6, Art. no. 6, Jun. 2023, doi: 10.1002/wcms.1674.

  2. 2022

    1. B. Stamm and L. Theisen, “A Quasi-Optimal Factorization Preconditioner for Periodic Schrödinger Eigenstates in Anisotropically Expanding Domains,” SIAM Journal on Numerical Analysis, vol. 60, no. 5, Art. no. 5, Sep. 2022, doi: 10.1137/21m1456005.
    2. A. Mikhalev, M. Nottoli, and B. Stamm, “Linearly scaling computation of ddPCM solvation energy and forces using the fast multipole method,” The Journal of Chemical Physics, vol. 157, no. 11, Art. no. 11, Sep. 2022, doi: 10.1063/5.0104536.
    3. M. Nottoli, A. Mikhalev, B. Stamm, and F. Lipparini, “Coarse-Graining ddCOSMO through an Interface between Tinker and the ddX Library,” The Journal of Physical Chemistry B, vol. 126, no. 43, Art. no. 43, Oct. 2022, doi: 10.1021/acs.jpcb.2c04579.
    4. M. Hassan et al., “Manipulating Interactions between Dielectric Particles with Electric Fields : A General Electrostatic Many-Body Framework,” Journal of chemical theory and computation, vol. 18, no. 10, Art. no. 10, 2022, doi: 10.1021/acs.jctc.2c00008.
    To the top of the page