| Relative entropy and optimization-driven coarse-graining methods in VOTCA SY Mashayak, MN Jochum, K Koschke, NR Aluru, V Rühle, C Junghans PLoS one 10 (7), e0131754, 2015 | 77* | 2015 |
| Coarse-grained potential model for structural prediction of confined water SY Mashayak, NR Aluru Journal of chemical theory and computation 8 (5), 1828-1840, 2012 | 43 | 2012 |
| Coarse-grained force field for imidazolium-based ionic liquids A Moradzadeh, MH Motevaselian, SY Mashayak, NR Aluru Journal of Chemical Theory and Computation 14 (6), 3252-3261, 2018 | 41 | 2018 |
| Thermodynamic state-dependent structure-based coarse-graining of confined water SY Mashayak, NR Aluru The Journal of chemical physics 137 (21), 2012 | 32 | 2012 |
| A multiscale model for charge inversion in electric double layers SY Mashayak, NR Aluru The Journal of Chemical Physics 148 (21), 2018 | 24 | 2018 |
| Langevin-Poisson-EQT: A dipolar solvent based quasi-continuum approach for electric double layers SY Mashayak, NR Aluru The Journal of Chemical Physics 146 (4), 2017 | 19 | 2017 |
| An EQT-cDFT approach to determine thermodynamic properties of confined fluids SY Mashayak, MH Motevaselian, NR Aluru The Journal of chemical physics 142 (24), 2015 | 19 | 2015 |
| Extended coarse-grained dipole model for polar liquids: Application to bulk and confined water MH Motevaselian, SY Mashayak, NR Aluru Physical Review E 98 (5), 052135, 2018 | 18 | 2018 |
| CFD modeling of plasma thermal reactor for waste treatment SY Mashayak Purdue University, 2009 | 18 | 2009 |
| Integral equation theory based direct and accelerated systematic coarse-graining approaches SY Mashayak, L Miao, NR Aluru The Journal of Chemical Physics 148 (21), 2018 | 17 | 2018 |
| An EQT-based cDFT approach for a confined Lennard-Jones fluid mixture MH Motevaselian, SY Mashayak, NR Aluru The Journal of chemical physics 143 (12), 2015 | 9 | 2015 |
| Comparing solvent models for molecular dynamics of protein SY Mashayak, DE Tanner University of Illinois at Urbana-Champaign, Champaign, IL. https://courses …, 2011 | 7 | 2011 |
| A multiscale framework for structure of confined water and electrolytes SY Mashayak University of Illinois at Urbana-Champaign, 2017 | | 2017 |
| Explicit water based quasi-continuum approach for electric double layers (EDLs). SY Mashayak, NR Aluru APS March Meeting Abstracts 2017, R12. 006, 2017 | | 2017 |
| A multiscale quasi-continuum theory to determine thermodynamic properties of fluid mixtures in nanochannels MH Motevaselian, SY Mashayak, NR Aluru APS Division of Fluid Dynamics Meeting Abstracts, M9. 007, 2015 | | 2015 |
| Quasi-continuum multiscale theory for confined Lennard-Jones fluid mixture MH Motevaselian, SY Mashayak, NR Aluru APS March Meeting Abstracts 2015, T23. 006, 2015 | | 2015 |
| LAMMPS KOKKOS PACKAGE SY MASHAYAK, CR TROTT, SJ PLIMPTON CCR, 74, 2014 | | 2014 |
| Coarse-graining using the relative entropy and simplex-based optimization methods in VOTCA M Jochum, K Koschke, NR Aluru, K Kremer, SY Mashayak, C Junghans Bulletin of the American Physical Society 59, 2014 | | 2014 |
| Continuum-based multiscale approach to predict the structure and theromdynamic properties of confined fluids SY Mashayak, NR Aluru APS March Meeting Abstracts 2014, A20. 015, 2014 | | 2014 |
| Continuum-based coarse-grained water potentials for structural prediction in confined environments SY Mashayak, NR Aluru APS Division of Fluid Dynamics Meeting Abstracts, G30. 005, 2012 | | 2012 |
N. AluruMechanical Engineering, Oden Institute, University of Texas at Austin; Previous: UIUCVerified email at utexas.edu
