P. Valentini

发表

Correction: Artificial Neural Network Potential Energy Surface for Direct Molecular Simulation of Nonequilibrium Gas Flows

P. Valentini, M. Grover, E. Josyula, 2019, AIAA Aviation 2019 Forum.

Vibrational state-to-state and multiquantum effects for N2+ N2interactions at high temperatures for aerothermodynamic applications

Ross S. Chaudhry, P. Valentini, M. Grover, 2020 .

Rovibrational coupling in molecular nitrogen at high temperature: An atomic-level study

T. Schwartzentruber, P. Valentini, P. Norman, 2014 .

Molecular Dynamics Simulations of Normal Shocks in Dilute Gases

T. Schwartzentruber, P. Valentini, 2009 .

Ab initio based model for high temperature nitrogen rovibrational excitation and dissociation

G. Candler, T. Schwartzentruber, P. Valentini, 2016 .

Direct molecular simulation of nitrogen dissociation based on an ab initio potential energy surface

G. Candler, T. Schwartzentruber, P. Valentini, 2015 .

Direct simulation of rovibrational excitation and dissociation in molecular nitrogen using an ab initio potential energy surface

G. Candler, T. Schwartzentruber, P. Valentini, 2015 .

Analysis of rovibrational relaxation in nitrogen via direct atomic simulation

T. Schwartzentruber, P. Valentini, P. Norman, 2014 .

Molecular Dynamics Simulations of Shock Waves in Mixtures of Noble Gases

Paolo Valentini, Thomas E. Schwartzentruber, Chonglin Zhang, 2013 .

Molecular Dynamics Simulations of Normal Shock Waves in Dilute Gas Mixtures

T. Schwartzentruber, P. Valentini, Chonglin Zhang, 2012 .

Investigation of rotational relaxation in nitrogen via Molecular Dynamics simulation

T. Schwartzentruber, P. Valentini, Chonglin Zhang, 2012 .

ReaxFF atomic-level simulation of catalytic processes on platinum

T. Schwartzentruber, P. Valentini, I. Cozmuta, 2011 .

An improved potential energy surface and multi-temperature quasiclassical trajectory calculations of N2 + N2 dissociation reactions.

G. Candler, D. Truhlar, T. Schwartzentruber, 2015, The Journal of chemical physics.

Phase-transition plasticity response in uniaxially compressed silicon nanospheres.

W. Gerberich, T. Dumitricǎ, P. Valentini, 2007, Physical review letters.

Ab initio simulation of a dissociating nitrogen flow over a wedge

Nicholas J. Bisek, Nicholas Bisek, P. Valentini, 2022, AIAA SCITECH 2022 Forum.

Direct Molecular Simulations of two-dimensional hypersonic nitrogen flow over a cylinder using an empirical and an ab initio PES

P. Valentini, M. Grover, E. Josyula, 2021, AIAA AVIATION 2021 FORUM.

Molecular simulation of flows in thermochemical non-equilibrium around a cylinder using ab initio potential energy surfaces for N2 + N and N2 + N2 interactions

Nicholas J. Bisek, Nicholas Bisek, P. Valentini, 2021, Physics of Fluids.

Ab initio simulation of hypersonic flows past a cylinder based on accurate potential energy surfaces

P. Valentini, M. Grover, 2021 .

A coupled vibration-dissociation model for nitrogen from direct molecular simulation

T. Schwartzentruber, P. Valentini, Narendra Singh, 2016 .

Comparison of quantum mechanical and empirical potential energy surfaces and computed rate coefficients for N2 dissociation

R. Jaffe, S. Venturi, M. Panesi, 2016 .

Quasiclassical trajectory analysis of the N2 + N2 reaction using a new ab initio potential energy surface

G. Candler, D. Truhlar, Ke R. Yang, 2014 .

Characterization of vibrational and rotational energy transfer in N2 + N2 dissociative collisions using the quasiclassical trajectory method

G. Candler, P. Valentini, J. Bender, 2015 .

Direct Molecular Simulation of Nonequilibrium Dilute Gases

T. Schwartzentruber, P. Valentini, M. Grover, 2017, Journal of Thermophysics and Heat Transfer.

Ab initio calculation of thermal conductivity: Application to molecular nitrogen

Nicholas J. Bisek, P. Valentini, M. Grover, 2022, Physical Review Fluids.

Comparative analysis of internal energy excitation and dissociation of nitrogen predicted by independently developed ab initio potential energy surfaces

Nicholas J. Bisek, R. Jaffe, T. Schwartzentruber, 2022, Physical Review Fluids.

Molecular Dynamics Modeling of Hypersonic Gas‐Phase and Gas‐Surface Reactions

T. Schwartzentruber, P. Valentini, P. Norman, 2011 .

Constructing feed-forward artificial neural networks to fit potential energy surfaces for molecular simulation of high-temperature gas flows.

P. Valentini, M. Grover, E. Josyula, 2020, Physical review. E.

Artificial Neural Network Potential Energy Surface for Direct Molecular Simulation of Nonequilibrium Gas Flows

P. Valentini, M. Grover, E. Josyula, 2019, AIAA Aviation 2019 Forum.

Molecular dynamics simulation of rotational relaxation in nitrogen: Implications for rotational collision number models

Paolo Valentini, Thomas E. Schwartzentruber, Chonglin Zhang, 2012 .

Comparison of potential energy surfaces and computed rate coefficients for N2 dissociation.

R. Jaffe, S. Venturi, M. Panesi, 2018, Journal of thermophysics and heat transfer.

Uncertainty Analysis of Reaction Rates in a Finite-Rate Surface-Catalysis Model

T. Schwartzentruber, P. Valentini, Cory Sorensen, 2012 .

A Mechanism-Based Finite-Rate Surface Catalysis Model for Simulating Reacting Flows

T. Schwartzentruber, P. Valentini, I. Cozmuta, 2009 .

ReaxFF Grand Canonical Monte Carlo simulation of adsorption and dissociation of oxygen on platinum (111)

T. Schwartzentruber, P. Valentini, I. Cozmuta, 2011 .

A combined Event-Driven/Time-Driven molecular dynamics algorithm for the simulation of shock waves in rarefied gases

Paolo Valentini, Thomas E. Schwartzentruber, T. Schwartzentruber, 2009, J. Comput. Phys..

Dynamics of nitrogen dissociation from direct molecular simulation

G. Candler, T. Schwartzentruber, P. Valentini, 2016 .

GPU-accelerated Classical Trajectory Calculation Direct Simulation Monte Carlo applied to shock waves

Paolo Valentini, Thomas E. Schwartzentruber, Paul Norman, 2013, J. Comput. Phys..

Simulation of Gas-Surface Interactions using ReaxFF Reactive Molecular Dynamics: Oxygen Adsorption on Platinum

T. Schwartzentruber, P. Valentini, I. Cozmuta, 2010 .

Molecular dynamics simulation of O2 sticking on Pt(111) using the ab initio based ReaxFF reactive force field.

Paolo Valentini, Ioana Cozmuta, T. Schwartzentruber, 2010, The Journal of chemical physics.

Dissipative particle dynamics simulation of a colloidal micropump

Paolo Valentini, Pietro De Palma, Michele Napolitano, 2006 .

First principle simulation of CUBRC double cone experiments

Nicholas J. Bisek, P. Valentini, M. Grover, 2023, AIAA AVIATION 2023 Forum.

Large-scale molecular dynamics simulations of normal shock waves in dilute argon

Paolo Valentini, Thomas E. Schwartzentruber, T. Schwartzentruber, 2009 .

Thermochemical Nonequilibrium Predictions for Nitrogen Flow over a Wedge

Nicholas J. Bisek, P. Valentini, M. Grover, 2022, AIAA AVIATION 2022 Forum.

Coupled Rotational-Vibrational Excitation in Shock Waves using Trajectory-based Direct Simulation Monte Carlo

T. Schwartzentruber, P. Valentini, M. Grover, 2015 .

Direct molecular simulation of high-temperature nitrogen dissociation due to both N-N2 and N2-N2 collisions

G. Candler, T. Schwartzentruber, P. Valentini, 2015 .

Nonequilibrium-Direction-Dependent Rotational Energy Model for Use in Continuum and Stochastic Molecular Simulation

T. Schwartzentruber, P. Valentini, Chonglin Zhang, 2014 .

Viscosity of nitrogen from ab initio direct molecular simulations

Nicholas J. Bisek, P. Valentini, M. Grover, 2022, AIAA SCITECH 2022 Forum.

Molecular Dynamics Simulations of Nanoparticle-Surface Collisions in Crystalline Silicon

T. Dumitricǎ, P. Valentini, 2007 .

First principles simulation of reacting hypersonic flow over a blunt wedge

Nicholas J. Bisek, P. Valentini, A. Verhoff, 2023, Physics of Fluids.

Characterizing nonequilibrium at the shock front in high-enthalpy shock tube experiments with pure oxygen

C. Carter, P. Valentini, E. Josyula, 2020 .

A nonequilibrium-direction-dependent rotational energy model for use in continuum and stochastic molecular simulation

T. Schwartzentruber, P. Valentini, Chonglin Zhang, 2013 .