Publications

ReLMM: Reinforcement Learning Optimizes Feature Selection in Modeling Materials

M Sharma Priyadarshini*, NK Thota*, R Hernandez

Journal of Chemical Information and Modeling 65 (1), 153-161

PAL 2.0: A Physics-Driven Bayesian Optimization Framework for Material Discovery

M Sharma Priyadarshini*, OV Romiluyi*, Y Wang, KP Miskin, C Ganley, P Clancy

Materials Horizons 1 (3), 781-791.

NestedAE: interpretable nested autoencoders for multi-scale materials characterization

NK Thota*, MS Priyadarshini*, R Hernandez

Materials Horizons 11(3), 700-707.

Machine learning-guided accelerated discovery of structure-property correlations i lean magnesium alloys for biomedical applications

S Raguraman, MS Priyadarshini, T Nguyen, R McGovern, A Kim, Adam J Griebel, Paulette Clancy, Timothy P Weihs

Journal of Magnesium and Alloys 12 (6), 2267-2283.

Efficient quasi-classical trajectory calculations by means of neural operator architectures

M Sharma Priyadarshini*, S Venturi*, I Zanardi, M Panesi

Physical Chemistry Chemical Physics 25 (20), 13902-13912.

Comprehensive study of HCN: Potential energy surfaces, state-to-state kinetics, and master equation analysis

M Sharma Priyadarshini, SM Jo, S Venturi, DW Schwenke, RL Jaffe, M Panesi

The Journal of Physical Chemistry A 126 (44), 8249-8265

Rovibrational-Specific QCT and Master Equation Study on N2(X1Σg+) + O(3P) and NO(X2Π) + N(4S) Systems in High-Energy Collisions

SM Jo, S Venturi, M Sharma Priyadarshini, A Munafò, M Panesi

The Journal of Physical Chemistry A 126 (21), 3273-3290

Carbon Clusters: Thermochemistry and Electronic Structure at High Temperatures

M Sharma Priyadarshini, RL Jaffe, M Panesi

The Journal of Physical Chemistry A 125 (32), 7038-7051

Application of DeepOnet to model inelastic scattering probabilities in air mixtures

M Sharma Priyadarshini, S Venturi, M Panesi

AIAA Aviation 2021 Forum, 3144

Data-Inspired and Physics-Driven Model Reduction for Dissociation: Application to the O2 + O System

S Venturi, M Sharma Priyadarshini, B Lopez, M Panesi

The Journal of Physical Chemistry A 124 (41), 8359-8372

Coarse-grained modeling of thermochemical nonequilibrium using the multigroup maximum entropy quadratic formulation

M Sharma Priyadarshini, Y Liu, M Panesi

Physical Review E 101 (1), 013307

Thermodynamic Analysis of Boundary Layer Species During Ablation

M Sharma Priyadarshini, M Panesi, RL Jaffe

International Conference on Flight vehicles, Aerothermodynamics and Re-entry …

Characterization of non-equilibrium hypersonic flows using maximum entropy linear model

M Sharma Priyadarshini, A Munafò, M Panesi

AIP Conference Proceedings 2132 (1)

Application of ab-initio based grouped rates for modeling non-equilibrium flow physics

M Sharma Priyadarshini, S Venturi, A Munafò, M Panesi

AIAA Scitech 2019 Forum, 0792

One-dimensional modeling methodology for shock tubes: Application to the EAST facility

M Sharma Priyadarshini, A Munafo, AM Brandis, BA Cruden, M Panesi

2018 Joint Thermophysics and Heat Transfer Conference, 4181

Calculation of thermochemical properties of carbon-cluster ablation species

M Sharma Priyadarshini, RL Jaffe, A Munafo, M Panesi

2018 Joint Thermophysics and Heat Transfer Conference, 4179

Advanced Modeling of Non-equilibrium Flows using a Maximum Entropy “Quadratic” Formulation

M Sharma Priyadarshini, Y Liu, M Panesi

55th AIAA Aerospace Sciences Meeting, 1612