| QuantumATK: An integrated platform of electronic and atomic-scale modelling tools S Smidstrup, T Markussen, P Vancraeyveld, J Wellendorff, J Schneider, ... Journal of Physics: Condensed Matter 32 (1), 015901, 2019 | 1239 | 2019 |
| Specific material recognition by small peptides mediated by the interfacial solvent structure J Schneider, L Colombi Ciacchi Journal of the American Chemical Society 134 (4), 2407-2413, 2012 | 164 | 2012 |
| ATK-ForceField: a new generation molecular dynamics software package J Schneider, J Hamaekers, ST Chill, S Smidstrup, J Bulin, R Thesen, ... Modelling and Simulation in Materials Science and Engineering 25 (8), 085007, 2017 | 105 | 2017 |
| Molecular structure of vapor-deposited amorphous selenium AHGCLSJPJSABW Zhao J. Appl. Phys. 120 (13), 135101, 2016 | 85 | 2016 |
| Adhesion Mechanisms of the Contact Interface of TiO2 Nanoparticles in Films and Aggregates S Salameh, J Schneider, J Laube, A Alessandrini, P Facci, JW Seo, ... Langmuir 28 (31), 11457-11464, 2012 | 83 | 2012 |
| Ab initio derived force‐field parameters for molecular dynamics simulations of deprotonated amorphous‐SiO2/water interfaces A Butenuth, G Moras, J Schneider, M Koleini, S Köppen, R Meißner, ... physica status solidi (b) 249 (2), 292-305, 2012 | 80 | 2012 |
| A classical potential to model the adsorption of biological molecules on oxidized titanium surfaces J Schneider, LC Ciacchi Journal of Chemical Theory and Computation 7 (2), 473-484, 2010 | 64 | 2010 |
| First principles and classical modeling of the oxidized titanium (0001) surface J Schneider, LC Ciacchi Surface Science 604 (13), 1105-1115, 2010 | 46 | 2010 |
| Simulating dynamic crossover behavior of semiflexible linear polymers in solution and in the melt MO Steinhauser, J Schneider, A Blumen The Journal of chemical physics 130 (16), 164902, 2009 | 41 | 2009 |
| Computational prediction of circular dichroism spectra and quantification of helicity loss upon peptide adsorption on silica RH Meißner, J Schneider, P Schiffels, L Colombi Ciacchi Langmuir 30 (12), 3487-3494, 2014 | 40 | 2014 |
| Molecular dynamics simulations on scattering of single Ar, N 2, and CO 2 molecules on realistic surfaces J Reinhold, T Veltzke, B Wells, J Schneider, F Meierhofer, LC Ciacchi, ... Computers & Fluids 97, 31-39, 2014 | 26 | 2014 |
| Dissolution study of active pharmaceutical ingredients using molecular dynamics simulations with classical force fields M Greiner, E Elts, J Schneider, K Reuter, H Briesen Journal of Crystal Growth 405, 122-130, 2014 | 24 | 2014 |
| Efficient Calculation of Microscopic Dissolution Rate Constants: The Aspirin–Water Interface J Schneider, K Reuter The Journal of Physical Chemistry Letters 5 (21), 3859-3862, 2014 | 20 | 2014 |
| In silico dissolution rates of pharmaceutical ingredients B Dogan, J Schneider, K Reuter Chemical Physics Letters 662, 52-55, 2016 | 8 | 2016 |
| Thermodynamics of surface defects at the aspirin/water interface J Schneider, C Zheng, K Reuter The Journal of chemical physics 141 (12), 124702, 2014 | 8 | 2014 |
| Identification of materials' binding peptide sequences guided by a MALDI-ToF MS depletion assay S Steckbeck, J Schneider, L Wittig, K Rischka, I Grunwald, LC Ciacchi Analytical Methods 6 (5), 1501-1509, 2014 | 7 | 2014 |
| Molecular Dynamics Simulations of Biological Molecules on the Natively Oxidized Titanium Surface J Schneider Bremen, Universität Bremen, Diss., 2011, 2011 | 1 | 2011 |
| Equilibrium and Non-Equilibrium Molecular Dynamics Simulations of Flexible and Semiflexible Polymers in Solution and in the Melt MO Steinhauser, J Schneider, A Blumen | | |
