| Calculation of absorption spectra for light-harvesting systems using non-Markovian approaches as well as modified Redfield theory M Schröder, U Kleinekathöfer, M Schreiber The Journal of chemical physics 124 (8), 2006 | 140 | 2006 |
| Theoretical studies of the tunneling splitting of malonaldehyde using the multiconfiguration time-dependent Hartree approach M Schröder, F Gatti, HD Meyer The Journal of chemical physics 134 (23), 2011 | 115 | 2011 |
| Reduced dynamics of coupled harmonic and anharmonic oscillators using higher-order perturbation theory M Schröder, M Schreiber, U Kleinekathöfer The Journal of chemical physics 126 (11), 2007 | 72 | 2007 |
| Calculation of the vibrational excited states of malonaldehyde and their tunneling splittings with the multi-configuration time-dependent Hartree method M Schröder, HD Meyer The Journal of Chemical Physics 141 (3), 2014 | 53 | 2014 |
| Transforming high-dimensional potential energy surfaces into sum-of-products form using Monte Carlo methods M Schröder, HD Meyer The Journal of Chemical Physics 147 (6), 2017 | 42 | 2017 |
| Realization of the CNOT quantum gate operation in six-dimensional ammonia using the OCT-MCTDH approach M Schröder, A Brown The Journal of chemical physics 131 (3), 2009 | 40 | 2009 |
| Transforming high-dimensional potential energy surfaces into a canonical polyadic decomposition using Monte Carlo methods M Schröder The Journal of Chemical Physics 152 (2), 2020 | 39 | 2020 |
| The MCTDH package HD Meyer, GA Worth, MH Beck, A Jäckle, U Manthe, M Ehara, A Raab, ... Version 8, 2007, 2002 | 37 | 2002 |
| Implementation of an iterative algorithm for optimal control of molecular dynamics into MCTDH M Schröder, JL Carreón-Macedo, A Brown Physical Chemistry Chemical Physics 10 (6), 850-856, 2008 | 35 | 2008 |
| Generalized filtering of laser fields in optimal control theory: application to symmetry filtering of quantum gate operations M Schröder, A Brown New Journal of Physics 11 (10), 105031, 2009 | 25 | 2009 |
| Suitable coordinates for quantum dynamics: Applications using the multiconfiguration time-dependent Hartree (MCTDH) algorithm L Joubert-Doriol, B Lasorne, F Gatti, M Schröder, O Vendrell, HD Meyer Computational and Theoretical Chemistry 990, 75-89, 2012 | 22 | 2012 |
| Ab Initio Potential Energy and Dipole Moment Surfaces for CS2: Determination of Molecular Vibrational Energies E Pradhan, JL Carreon-Macedo, JE Cuervo, M Schröder, A Brown The Journal of Physical Chemistry A 117 (32), 6925-6931, 2013 | 21 | 2013 |
| A time-dependent modified Redfield theory for absorption spectra applied to light-harvesting systems M Schröder, M Schreiber, U Kleinekathöfer Journal of luminescence 125 (1-2), 126-132, 2007 | 20 | 2007 |
| The coupling of the hydrated proton to its first solvation shell M Schröder, F Gatti, D Lauvergnat, HD Meyer, O Vendrell Nature Communications 13 (1), 6170, 2022 | 17 | 2022 |
| State-resolved infrared spectrum of the protonated water dimer: Revisiting the characteristic proton transfer doublet peak HR Larsson, M Schröder, R Beckmann, F Brieuc, C Schran, D Marx, ... Chemical Science 13 (37), 11119-11125, 2022 | 10 | 2022 |
| Absorption spectra for a model light-harvesting system using non-Markovian theories U Kleinekathöfer, M Schröder, M Schreiber Journal of luminescence 112 (1-4), 461-464, 2005 | 8 | 2005 |
| High-dimensional quantum dynamics study on excitation-specific surface scattering including lattice effects of a five-atom surface cell Q Meng, M Schröder, HD Meyer Journal of Chemical Theory and Computation 17 (5), 2702-2713, 2021 | 7 | 2021 |
| A Monte Carlo method for propagating multi‐dimensional wave packets M Schröder, U Kleinekathöfer physica status solidi (b) 241 (9), 2157-2167, 2004 | 2 | 2004 |
| Quantum and classical molecular dynamics for H atom scattering from graphene L Shi, M Schröder, HD Meyer, D Peláez, AM Wodtke, K Golibrzuch, ... The Journal of Chemical Physics 159 (19), 2023 | 1 | 2023 |
| Representation of diabatic potential energy matrices for multiconfiguration time-dependent Hartree treatments of high-dimensional nonadiabatic photodissociation dynamics S Han, M Schröder, F Gatti, HD Meyer, D Lauvergnat, DR Yarkony, ... Journal of Chemical Theory and Computation 18 (8), 4627-4638, 2022 | 1 | 2022 |
