Knowledge-based modeling of simulation behavior for Bayesian optimization. Computational Mechanics, January 2024. [PUMA: PN5 cmcs ians]
Coupled Simulation and Parameter Inversion for Neural System and Electrophysiological Muscle Models. GAMM-Mitteilungen, March 2024. [PUMA: PN5 cmcs ians]
OpenDiHu: An Efficient and Scalable Framework for Biophysical Simulations of the Neuromuscular System. Journal of Computational Science, (79)102291July 2024. [PUMA: PN5 cmcs ians]
Continuity estimates for Riesz potentials on polygonal boundaries. Partial Differential Equations and Applications, June 2024. [PUMA: imported nmh ians] URL
Reduced-dimensional modelling for nonlinear convection-dominated flow in cylindric domains. 2024. [PUMA: am ians] URL
An Interface-Preserving Moving Mesh in Multiple Space Dimensions. ACM Trans. Math. Softw., (50)1Association for Computing Machinery, New York, NY, USA, March 2024. [PUMA: am ians simtech updated] URL
Stokes-Brinkman-Darcy models for coupled fluid-porous systems: derivation, analysis and validation. Appl. Math. Comp. (submitted), 2024. [PUMA: am flupor ians]
Efficient preconditioners for coupled Stokes-Darcy problems. SIAM J. Sci. Comput. (submitted), 2024. [PUMA: ians]
QM/AMOEBA description of properties and dynamics of embedded molecules. WIREs Computational Molecular Science, (13)6Wiley, June 2023. [PUMA: ians nmh] URL
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, 9720--9726, American Chemical Society (ACS), October 2023. [PUMA: ians nmh] URL
Analysis of the Feshbach-Schur method for the Fourier spectral discretizations of Schrödinger operators. Mathematics of computation, (92)340:217-249, American Mathematical Society, 2023. [PUMA: ians nmh]
Coarse-Graining ddCOSMO through an Interface between Tinker and the ddX Library. The Journal of Physical Chemistry B, (126)43:8827--8837, American Chemical Society (ACS), October 2022. [PUMA: ians nmh] URL
Molecular Mechanics of Disordered Solids. Archives of computational methods in engineering, (30)3:2105-2180, Springer, 2023. [PUMA: ians nmh]
Numerical stability and efficiency of response property calculations in density functional theory. Letters in Mathematical Physics, (113)1Springer Verlag, February 2023. [PUMA: ians nmh] URL
Manipulating Interactions between Dielectric Particles with Electric Fields : A General Electrostatic Many-Body Framework. Journal of chemical theory and computation, (18)10:6281-6296, American Chemical Society, 2022. [PUMA: ians nmh]
Linearly scaling computation of ddPCM solvation energy and forces using the fast multipole method. The Journal of Chemical Physics, (157)11:114103, AIP Publishing, September 2022. [PUMA: ians nmh] URL
Linear scaling computation of forces for the domain-decomposition linear Poisson–Boltzmann method. The Journal of Chemical Physics, Mar 14, 2023. [PUMA: ians nmh] URL
Numerical stability and efficiency of response property calculations in density functional theory. Letters in Mathematical Physics, February 2023. [PUMA: ians nmh] URL
Reduced basis surrogates for quantum spin systems based on tensor networks. Physical Review E, Aug 18, 2023. [PUMA: ians nmh] URL
Displacement field splitting of defective hexagonal lattices. Physical Review B, Jul 18, 2022. [PUMA: ians nmh] URL