Direct molecular simulation of nonequilibrium dilute gases TE Schwartzentruber, MS Grover, P Valentini
Journal of Thermophysics and Heat Transfer 32 (4), 892-903, 2018
108 2018 Construction of a coarse-grain quasi-classical trajectory method. II. Comparison against the direct molecular simulation method RL Macdonald, MS Grover, TE Schwartzentruber, M Panesi
The Journal of chemical physics 148 (5), 2018
97 2018 Direct molecular simulation of internal energy relaxation and dissociation in oxygen MS Grover, E Torres, TE Schwartzentruber
Physics of Fluids 31 (7), 2019
94 2019 Vibrational Energy Transfer and Collision-Induced Dissociation in MS Grover, TE Schwartzentruber, Z Varga, DG Truhlar
Journal of Thermophysics and Heat Transfer 33 (3), 797-807, 2019
74 2019 Quasiclassical trajectory analysis of oxygen dissociation via O2, O, and N2 RS Chaudhry, MS Grover, JD Bender, TE Schwartzentruber, GV Candler
2018 AIAA Aerospace Sciences Meeting, 0237, 2018
56 2018 Comparison of Potential Energy Surface and Computed Rate Coefficients for RL Jaffe, M Grover, S Venturi, DW Schwenke, P Valentini, ...
Journal of thermophysics and heat transfer 32 (4), 869-881, 2018
40 2018 Ab initio simulation of hypersonic flows past a cylinder based on accurate potential energy surfaces MS Grover, P Valentini
Physics of Fluids 33 (5), 2021
33 2021 Dissociation and internal excitation of molecular nitrogen due to N2-N collisions using direct molecular simulation MS Grover, N Singh, TE Schwartzentruber, RL Jaffe
55th AIAA Aerospace Sciences Meeting, 0660, 2017
33 2017 Molecular simulation of flows in thermochemical non-equilibrium around a cylinder using ab initio potential energy surfaces for N2+ N and N2+ N2 interactions P Valentini, MS Grover, N Bisek, A Verhoff
Physics of Fluids 33 (9), 2021
31 2021 Internal energy relaxation and dissociation in molecular oxygen using direct molecular simulation MS Grover, TE Schwartzentruber
47th AIAA Thermophysics Conference, 3488, 2017
28 2017 Comparison of quantum mechanical and empirical potential energy surfaces and computed rate coefficients for N2 dissociation RL Jaffe, DW Schwenke, M Grover, P Valentini, TE Schwartzentruber, ...
54th AIAA Aerospace Sciences Meeting, 0503, 2016
27 2016 Dynamics of vibrational energy excitation and dissociation in oxygen from direct molecular simulation MS Grover, TE Schwartzentruber, Z Varga, DG Truhlar
2018 AIAA Aerospace Sciences Meeting, 0238, 2018
24 2018 Implementation of a nitrogen chemical kinetics model based on ab-initio data for hypersonic CFD RS Chaudhry, N Singh, MS Grover, TE Schwartzentruber, GV Candler
2018 Joint Thermophysics and Heat Transfer Conference, 3439, 2018
22 2018 First-principles predictions for shear viscosity of air components at high temperature P Valentini, AM Verhoff, MS Grover, NJ Bisek
Physical Chemistry Chemical Physics 25 (13), 9131-9139, 2023
18 2023 Constructing feed-forward artificial neural networks to fit potential energy surfaces for molecular simulation of high-temperature gas flows P Valentini, MS Grover, E Josyula
Physical Review E 102 (5), 053302, 2020
16 2020 Vibrational state-to-state and multiquantum effects for N2 + N2 interactions at high temperatures for aerothermodynamic applications MS Grover, P Valentini, E Josyula, RS Chaudhry
AIAA Scitech 2020 Forum, 1227, 2020
16 2020 First principles simulation of reacting hypersonic flow over a blunt wedge MS Grover, AM Verhoff, P Valentini, NJ Bisek
Physics of Fluids 35 (8), 086106, 2023
12 2023 First Principles Simulation of Reacting Hypersonic Flow Over a Blunt Wedge M Grover, P Valentini, A Verhoff, N Bisek
Available at SSRN 4441913, 0
12 * State-to-state and direct molecular simulation study of energy transfer and dissociation of nitrogen mixtures RL Macdonald, E Torres, TE Schwartzentruber, M Panesi
AIAA SciTech 2020 Forum, 1712, 2020
11 2020 Near-continuum, hypersonic oxygen flow over a double cone simulated by direct simulation Monte Carlo informed from quantum chemistry P Valentini, MS Grover, AM Verhoff, NJ Bisek
Journal of Fluid Mechanics 966, A32, 2023
9 2023 
Tom SchwartzentruberProfessor of Aerospace Engineering and Mechanics, University of MinnesotaAdresse e-mail validée de aem.umn.edu
