| LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales AP Thompson, HM Aktulga, R Berger, DS Bolintineanu, WM Brown, ... Computer physics communications 271, 108171, 2022 | 9563 | 2022 |
| Application of Ewald summations to long-range dispersion forces PJ in 't Veld, AE Ismail, GS Grest The Journal of chemical physics 127 (14), 144711, 2007 | 159 | 2007 |
| Temperature-dependent elasticity of a semicrystalline interphase composed of freely rotating chains PJ in 't Veld, GC Rutledge Macromolecules 36 (19), 7358-7365, 2003 | 143 | 2003 |
| Deformation mechanisms of thermoplastic elastomers: Stress-strain behavior and constitutive modeling H Cho, S Mayer, E Pöselt, M Susoff, PJ in 't Veld, GC Rutledge, MC Boyce Polymer 128, 87-99, 2017 | 114 | 2017 |
| Accurate and efficient methods for modeling colloidal mixtures in an explicit solvent using molecular dynamics PJ in 't Veld, SJ Plimpton, GS Grest Computer Physics Communications 179 (5), 320-329, 2008 | 88 | 2008 |
| A molecular simulation study of cavity size distributions and diffusion in para and meta isomers XY Wang, PJ in 't Veld, Y Lu, BD Freeman, IC Sanchez Polymer 46 (21), 9155-9161, 2005 | 84 | 2005 |
| Mesoscale hydrodynamics via stochastic rotation dynamics: Comparison with Lennard-Jones fluid MK Petersen, JB Lechman, SJ Plimpton, GS Grest, PJ in 't Veld, ... The Journal of chemical physics 132 (17), 174106, 2010 | 80 | 2010 |
| Configurational properties and corresponding states in simple fluids and water IC Sanchez, TM Truskett, PJ in 't Veld The Journal of Physical Chemistry B 103 (24), 5106-5116, 1999 | 74 | 1999 |
| Simulation of the mechanical strength of a single collagen molecule PJ in 't Veld, MJ Stevens Biophysical journal 95 (1), 33-39, 2008 | 73 | 2008 |
| Molecular Simulation of Thermoplastic Polyurethanes under Large Tensile Deformation S Zhu, N Lempesis, PJ in ‘t Veld, GC Rutledge Macromolecules 51 (5), 1850-1864, 2018 | 71 | 2018 |
| Surface tension of normal and branched alkanes AE Ismail, M Tsige, PJ in 't Veld, GS Grest Molecular Physics 105 (23-24), 3155-3163, 2007 | 60 | 2007 |
| Temperature-dependent thermal and elastic properties of the interlamellar phase of semicrystalline polyethylene by molecular simulation PJ in 't Veld, M Hütter, GC Rutledge Macromolecules 39 (1), 439-447, 2006 | 59 | 2006 |
| Effect of short chain branching on the interlamellar structure of semicrystalline polyethylene V Kumar, CR Locker, PJ in’t Veld, GC Rutledge Macromolecules 50 (3), 1206-1214, 2017 | 54 | 2017 |
| All-atomic and coarse-grained molecular dynamics investigation of deformation in semi-crystalline lamellar polyethylene PAT Olsson, PJ in ’t Veld, E Andreasson, E Bergvall, EP Jutemar, ... Polymer, 2018 | 49 | 2018 |
| Atomistic simulation of a thermoplastic polyurethane and micromechanical modeling N Lempesis, PJ in ‘t Veld, GC Rutledge Macromolecules 50 (18), 7399-7409, 2017 | 47 | 2017 |
| Implementing reactivity in molecular dynamics simulations with harmonic force fields HH Jordan J. Winetrout, Krishan Kanhaiya, Joshua Kemppainen, Pieter J. in ‘t ... Nature Communications 15, 7945, 2024 | 41 | 2024 |
| Polyethylene {201} crystal surface: interface stresses and thermodynamics M Hütter, PJ in 't Veld, GC Rutledge Polymer 47 (15), 5494-5504, 2006 | 40* | 2006 |
| Atomistic simulation of the structure and mechanics of a semicrystalline polyether N Lempesis, PJ in ‘t Veld, GC Rutledge Macromolecules 49 (15), 5714-5726, 2016 | 39 | 2016 |
| Molecular Simulation of Thermoplastic Polyurethanes under Large Compressive Deformation S Zhu, N Lempesis, PJ in ‘t Veld, GC Rutledge Macromolecules 51 (22), 9306-9316, 2018 | 36 | 2018 |
| Simulation of the structure and mechanics of crystalline 4, 4′-diphenylmethane diisocyanate (MDI) with n-butanediol (BDO) as chain extender N Lempesis, PJ in 't Veld, GC Rutledge Polymer 107, 233-239, 2016 | 36 | 2016 |
Steve PlimptonSandia National LaboratoriesVerified email at sandia.gov
