Simulating interfacial thermal conductance at metal-solvent interfaces: The role of chemical capping agents S Kuang, JD Gezelter The Journal of Physical Chemistry C 115 (45), 22475-22483, 2011 | 62 | 2011 |
A gentler approach to RNEMD: Nonisotropic velocity scaling for computing thermal conductivity and shear viscosity S Kuang, JD Gezelter The Journal of chemical physics 133 (16), 2010 | 52 | 2010 |
Velocity shearing and scaling RNEMD: a minimally perturbing method for simulating temperature and momentum gradients S Kuang, JD Gezelter Molecular Physics 110 (9-10), 691-701, 2012 | 41 | 2012 |
OpenMD, an open source engine for molecular dynamics JD Gezelter, S Kuang, J Marr, K Stocker, C Li, C Vardeman, T Lin, ... University of Notre Dame, Notre Dame, IN, 2010 | 35 | 2010 |
OPENMD-2.5: molecular dynamics in the open P Louden, H Bhattarai, S Neidhart, T Lin, CF Vardeman II, CJ Fennell, ... Department of Chemistry and Biochemistry, University of Notre Dame, Notre …, 2017 | 4 | 2017 |
Atomistic simulations of nanoscale transport phenomena S Kuang University of Notre Dame, 2012 | 2 | 2012 |
OPENMD-2.4: Molecular Dynamics in the Open H Bhattarai, P Louden, S Niedhart, T Lin, CF Vardeman II, CJ Fennell, ... | 1 | 2016 |
OpenMD-3.0: Molecular Dynamics in the Open C Drisko, S Shavalier, B Harless, V Freund, T Lin, CF Vardeman II, ... | | 2023 |
O MD-2.6: Molecular Dynamics in the Open H Bhattarai, C Drisko, ADS Duraes, T Lin, CF Vardeman II, CJ Fennell, ... | | 2019 |
OPENMD-2.3: Molecular Dynamics in the Open M Lamichhane, P Louden, J Michalka, S Niedhart, T Lin, CF Vardeman II, ... | | 2015 |
OPENMD-2.2: Molecular Dynamics in the Open J Michalka, J Marr, K Stocker, M Lamichhane, P Louden, T Lin, ... | | 2014 |
OPENMD-2: Molecular Dynamics in the Open S Kuang, J Michalka, K Stocker, J Marr, T Lin, CF Vardeman II, CJ Fennell, ... | | 2012 |
Developing gentler approaches to reverse nonequilibrium molecular dynamics (RNEMD) for computing transport properties S Kuang, JD Gezelter ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 243, 2012 | | 2012 |
Simulating interfacial thermal conductance at metal-solvent interfaces: The role of chemical capping agents JD Gezelter, S Kuang ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 243, 2012 | | 2012 |