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Quantum, classical, and hybrid QM/MM calculations in solution: General implementation of the ddCOSMO linear scaling strategy, , , , , , , , and . Journal of Chemical Physics, (2014)A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born–Oppenheimer Molecular Dynamics, , , , , and . The Journal of Physical Chemistry Letters, (October 2023)Multiscale Models for Light-Driven Processes, , , , and . Annual review of physical chemistry, 72 (1): 489-513 (2021)A ΔSCF model for excited states within a polarisable embedding, , , , and . Molecular physics, 121 (9-10): e2089605 (2023)Excited state Born–Oppenheimer molecular dynamics through coupling between time dependent DFT and AMOEBA, , and . Physical chemistry, chemical physics, 22 (35): 19532-19541 (2020)Scalable Evaluation of Polarization Energy and Associated Forces in Polarizable Molecular Dynamics: II. Toward Massively Parallel Computations Using Smooth Particle Mesh Ewald, , , , , , , , and . Journal of Chemical Theory and Computation, 11 (6): 2589-2599 (2015)A new discretization for the polarizable continuum model within the domain decomposition paradigm, , , and . Journal of Chemical Physics, (2016)How to make continuum solvation incredibly fast in a few simple steps: A practical guide to the domain decomposition paradigm for the conductor-like screening model, , , , , , , , and . International Journal of Quantum Chemistry, (August 2018)Coarse-Graining ddCOSMO through an Interface between Tinker and the ddX Library, , , and . The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry, 126 (43): 8827-8837 (2022)Molecular Dynamics Simulations Enforcing Nonperiodic Boundary Conditions : New Developments and Application to the Solvent Shifts of Nitroxide Magnetic Parameters, , , , , and . Journal of chemical theory and computation, 18 (4): 2479-2493 (2022)