| The computer simulation of proton transport in water UW Schmitt, GA Voth The Journal of chemical physics 111 (20), 9361-9381, 1999 | 676 | 1999 |
| Multistate empirical valence bond model for proton transport in water UW Schmitt, GA Voth The Journal of Physical Chemistry B 102 (29), 5547-5551, 1998 | 484 | 1998 |
| A second generation multistate empirical valence bond model for proton transport in aqueous systems TJF Day, AV Soudackov, M Čuma, UW Schmitt, GA Voth The Journal of chemical physics 117 (12), 5839-5849, 2002 | 347 | 2002 |
| The vibrational spectrum of the hydrated proton: Comparison of experiment, simulation, and normal mode analysis J Kim, UW Schmitt, JA Gruetzmacher, GA Voth, NE Scherer The Journal of chemical physics 116 (2), 737-746, 2002 | 249 | 2002 |
| The mechanism of hydrated proton transport in water TJF Day, UW Schmitt, GA Voth Journal of the American Chemical Society 122 (48), 12027-12028, 2000 | 230 | 2000 |
| The formation and dynamics of proton wires in channel environments ML Brewer, UW Schmitt, GA Voth Biophysical Journal 80 (4), 1691-1702, 2001 | 219 | 2001 |
| Speeding up parallel GROMACS on high‐latency networks C Kutzner, D Van Der Spoel, M Fechner, E Lindahl, UW Schmitt, ... Journal of Computational Chemistry 28 (12), 2075-2084, 2007 | 163 | 2007 |
| Assigning protonation patterns in water networks in bacteriorhodopsin based on computed IR spectra R Rousseau, V Kleinschmidt, UW Schmitt, D Marx Angewandte Chemie-International Edition 43 (36), 4804-4807, 2004 | 95 | 2004 |
| A multi-state empirical valence bond model for weak acid dissociation in aqueous solution M Čuma, UW Schmitt, GA Voth The Journal of Physical Chemistry A 105 (12), 2814-2823, 2001 | 94 | 2001 |
| Modeling protonated water networks in bacteriorhodopsin R Rousseau, V Kleinschmidt, UW Schmitt, D Marx Physical Chemistry Chemical Physics 6 (8), 1848-1859, 2004 | 63 | 2004 |
| A multi-state empirical valence bond model for acid–base chemistry in aqueous solution M Čuma, UW Schmitt, GA Voth Chemical Physics 258 (2-3), 187-199, 2000 | 60 | 2000 |
| Quantum properties of the excess proton in liquid water UW Schmitt, GA Voth Israel Journal of Chemistry 39 (3‐4), 483-492, 1999 | 55 | 1999 |
| The isotope substitution effect on the hydrated proton UW Schmitt, GA Voth Chemical Physics Letters 329 (1-2), 36-41, 2000 | 49 | 2000 |
| Discrete time-reversible propagation scheme for mixed quantum-classical dynamics U Schmitt, J Brickmann Chemical physics 208 (1), 45-56, 1996 | 22 | 1996 |
| Correlation effects and charge fluctuations in. pi. systems: a combined PPP and localized many-particle analysis MC Boehm, J Schuett, U Schmitt The Journal of Physical Chemistry 97 (44), 11427-11434, 1993 | 11 | 1993 |
| A molecular dynamics model for symplectic intergrators M Hankel, B Karasözen, P Rentrop, U Schmitt Mathematical Modelling of Systems 3 (4), 282-296, 1997 | 4 | 1997 |
| Improved GROMACS scaling on Ethernet switched clusters C Kutzner, D Van der Spoel, M Fechner, E Lindahl, UW Schmitt, ... Recent Advances in Parallel Virtual Machine and Message Passing Interface …, 2006 | 3 | 2006 |
| Aqueous proton transfer in ion channel models ML Brewer, UW Schmitt, GA Voth BIOPHYSICAL JOURNAL 78 (1), 331A-331A, 2000 | 2 | 2000 |
| The Photodissociation/Recombination Dynamics of I2 in an Ar Matrix: Wave Packet Propagation in a Mixed Quantum-Classical Picture U Schmitt, J Brickmann Molecular modeling annual 2, 300-303, 1996 | 1 | 1996 |
