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.
BibTeX
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.
BibTeX
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.
BibTeX
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.
BibTeX
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.
BibTeX
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.
BibTeX
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.
BibTeX
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.
BibTeX