| A coarse-grain force field for RDX: Density dependent and energy conserving JD Moore, BC Barnes, S Izvekov, M Lísal, MS Sellers, DCE Taylor, ... The Journal of Chemical Physics 144 (10), 2016 | 81 | 2016 |
| Atomistic modeling of β-Sn surface energies and adatom diffusivity MS Sellers, AJ Schultz, C Basaran, DA Kofke Applied surface science 256 (13), 4402-4407, 2010 | 52 | 2010 |
| Lattice strain due to an atomic vacancy S Li, MS Sellers, C Basaran, AJ Schultz, DA Kofke International journal of molecular sciences 10 (6), 2798-2808, 2009 | 51 | 2009 |
| Influence of substrate strength on wetting behavior MS Sellers, JR Errington The Journal of Physical Chemistry C 112 (33), 12905-12913, 2008 | 47 | 2008 |
| Free-energy calculations using classical molecular simulation: application to the determination of the melting point and chemical potential of a flexible RDX model MS Sellers, M Lísal, JK Brennan Physical Chemistry Chemical Physics 18 (11), 7841-7850, 2016 | 37 | 2016 |
| The surface energies of β-Sn—A new concept for corrosion and whisker mitigation P Eckold, MS Sellers, R Niewa, W Hügel Microelectronics Reliability 55 (12), 2799-2807, 2015 | 35 | 2015 |
| β-Sn grain-boundary structure and self-diffusivity via molecular dynamics simulations MS Sellers, AJ Schultz, C Basaran, DA Kofke Physical Review B 81 (13), 134111, 2010 | 32 | 2010 |
| Dissipative particle dynamics with reactions: Application to RDX decomposition M Lísal, JP Larentzos, MS Sellers, IV Schweigert, JK Brennan The Journal of chemical physics 151 (11), 2019 | 28 | 2019 |
| Effect of Cu and Ag solute segregation on βSn grain boundary diffusivity MS Sellers, AJ Schultz, C Basaran, DA Kofke Journal of Applied Physics 110 (1), 2011 | 24 | 2011 |
| Predicting melt curves of energetic materials using molecular models GM Tow, JP Larentzos, MS Sellers, M Lísal, JK Brennan Propellants, Explosives, Pyrotechnics 47 (8), e202100363, 2022 | 11 | 2022 |
| XPairIt Docking Protocol for peptide docking and analysis MS Sellers, MM Hurley Molecular Simulation 42 (2), 149-161, 2016 | 10 | 2016 |
| Solute effects on β-Sn grain boundary energy and shear stress MS Sellers, AJ Schultz, DA Kofke, C Basaran Journal of Nanomechanics and Micromechanics 1 (1), 41-50, 2011 | 9 | 2011 |
| Exponential-six potential scaling for the calculation of free energies in molecular simulations MS Sellers, M Lísal, JK Brennan Molecular Physics 113 (1), 45-54, 2015 | 7 | 2015 |
| Shock simulations of a single-site coarse-grain RDX model using the dissipative particle dynamics method with reactivity MS Sellers, M Lísal, I Schweigert, JP Larentzos, JK Brennan AIP Conference Proceedings 1793 (1), 040008, 2017 | 6 | 2017 |
| Towards the identification of the gold binding region within trypsin stabilized nanoclusters using microwave synthesis routes MH Griep, MS Sellers, B Subhash, AM Fakner, AL West, NM Bedford Nanoscale 13 (2), 1061-1068, 2021 | 5 | 2021 |
| Development of bacterial display peptides for use in biosensing applications DN Stratis-Cullum, JM Kogot, MS Sellers, MM Hurley, DA Sarkes, ... SPIE Defense, Security, and Sensing, 83580A-83580A-9, 2012 | 5 | 2012 |
| Freestanding organogels by molecular velcro of unsaturated amphiphiles VS Balachandran, KP Divya, M Samateh, SS Sagiri, S Satapathy, ... Soft Matter 15 (31), 6263-6268, 2019 | 4 | 2019 |
| Non-equilibrium multiscale coarse-grained simulation of energetic molecular crystalline materials S Izvekov, M Sellers, B Barnes, J Larentzos, J Brennan, B Rice Abstracts of Papers of the American Chemical Society 250, 2015 | 4 | 2015 |
| Handbook of Nanoparticles, Biomediated Atomic Metal Nanoclusters: Synthesis and Theory MH Griep, AL West, MS Sellers, M Karna, E Zhan, N Hoque Springer International Publishing, 2015 | 3* | 2015 |
| In silico design of smart binders to anthrax PA MS Sellers, MM Hurley SPIE Defense, Security, and Sensing, 835807-835807-9, 2012 | 3 | 2012 |
David KofkeDistinguished Professor of Chemical & Biological Engineering, University at Buffalo, SUNYVerified email at buffalo.edu
