Malik Hassanaly

I try to make sure all my publications are freely accessible. If you cannot access one, shoot me a message! (malik[dot]hassanaly[at]gmail[dot]com)

Journal Articles

Neural posterior estimation for scalable and accurate inverse parameter inference in Li-ion batteries

Hassanaly, Malik and Randall, Corey R. and Weddle, Peter J. and Gasper, Paul J. and Kelly, Conlain and Tanim, Tanvir R. and Smith, Kandler. "Neural posterior estimation for scalable and accurate inverse parameter inference in Li-ion batteries (2026)." Journal of Energy Storage, Vol. 179B, 123823.

Optimal sparging and mixing for enhanced mass transfer in U-loop bioreactors across scales

Hassanaly, Malik and Jain, Pranav and Rahimi, Mohammad J. and Municchi, Federico and Sigler, Devon and Sitaraman, Hariswaran (2026). "Optimal sparging and mixing for enhanced mass transfer in U-loop bioreactors across scales." Under Review.

Low embodied energy and carbon, high lifetime silicon boules via a combined chemical vapor deposition/float zone process

Young, David L. and Young, Ethan and He, Xin and Kleinsorge, Aubry and Hassanaly, Malik and Loboda, Mark and Schulte, Kevin L. (2026) "Low embodied energy and carbon, high lifetime silicon boules via a combined chemical vapor deposition/float zone process." Solar Energy Materials and Solar Cells, Vol. 294, pp. 113902.

Detection of False Data Injection Attacks (FDIA) on Power Dynamical Systems With a State Prediction Method

Sahu, Abhijeet and Nguyen, Truc and Chen, Kejun and Zhang, Xiangyu and Hassanaly, Malik (2025)." Detection of False Data Injection Attacks (FDIA) on Power Dynamical Systems With a State Prediction Method." IEEE Access Vol. 13, pp. 12411-12426

A Priori Uncertainty Quantification of Reacting Turbulence Closure Models using Bayesian Neural Networks

Pash, Graham T. and Hassanaly, Malik and Yellapantula, Shashank. (2025) "A Priori Uncertainty Quantification of Reacting Turbulence Closure Models using Bayesian Neural Networks." Engineering Applications of Artificial Intelligence, Vol. 141, 109821.

Symbolic construction of the chemical Jacobian of quasi-steady state (QSS) chemistries for Exascale computing platforms

Hassanaly, Malik and Wimer, Nicholas T. and Felden, Anne and Esclapez, Lucas and Ream, Julia and Henry de Frahan, Marc T. and Rood, Jon and Day, Marc (2024)." Symbolic construction of the chemical Jacobian of quasi-steady state (QSS) chemistries for Exascale computing platforms." Combustion and Flame, Volume 270, 113740.

SUNDIALS Time Integrators for Exascale Applications with Many Independent ODE Systems

Balos, Cody J. and Day, Marc and Esclapez, Lucas and Felden, Anne M. and Gardner, David J. and Hassanaly, Malik and Reynolds, Daniel R. and Rood, Jon and Sexton, Jean M. and Wimer, Nicholas T. and Woodward, Carol S. (2025)." SUNDIALS Time Integrators for Exascale Applications with Many Independent ODE Systems." International Journal of High Performance Computing Applications Vol. 39, Iss. 1, pp. 123-146.

Bayesian calibration of bubble size dynamics applied to CO2 gas fermenters

Hassanaly, Malik and Parra-Alvarez, John M. and Rahimi, Mohammad J. and Municchi, Federico and Sitaraman, Hariswaran. (2025) "Bayesian calibration of bubble size dynamics applied to CO2 gas fermenters." Chemical Engineering Research and Design, Vol. 215, pp. 312-328.

PINN surrogate of Li-ion battery models for parameter inference. Part II: Regularization and application of the pseudo-2D model

Hassanaly, Malik and Weddle, Peter J. and King, Ryan N. and De, Subhayan and Doostan, Alireza and Randall, Corey R. and Dufek, Eric J. and Colclasure, Andrew M. and Smith, Kandler. "PINN surrogate of Li-ion battery models for parameter inference. Part II: Regularization and application of the pseudo-2D (2024)." Journal of Energy Storage, Vol. 98, 113104.

PINN surrogate of Li-ion battery models for parameter inference. Part I: Implementation and multi-fidelity hierarchies for the single-particle model

Hassanaly, Malik and Weddle, Peter J. and King, Ryan N. and De, Subhayan and Doostan, Alireza and Randall, Corey R. and Dufek, Eric J. and Colclasure, Andrew M. and Smith, Kandler. "PINN surrogate of Li-ion battery models for parameter inference. Part I: Implementation and multi-fidelity hierarchies for the single-particle model (2024)." Journal of Energy Storage, Vol. 98, 113103.

Ensemble flow reconstruction in the atmospheric boundary layer from spatially limited measurements through latent diffusion models

Rybchuk, Alex and Hassanaly, Malik and Hamilton, Nicholas and Doubrawa, Paula and Fulton, Mitchell J. and Martinez-Tossas, Luis A. "Ensemble flow reconstruction in the atmospheric boundary layer from spatially limited measurements through latent diffusion models." Physics of Fluids, Vol. 35, pp. 126604, 2023.

Visualizations of a methane/diesel RCCI engine using PeleC and PeleLMeX

Wimer, Nicholas T. and Esclapez, Lucas and Brunhart-Lupo, Nicholas and Henry de Frahan, Marc and Rahimi, Mohammad, and Hassanaly, Malik and Rood, Jon and Yellapantula, Shashank and Perry, Bruce and Martin, Michael and Doronina, Olga and Appukuttan, Sreejith N. and Rieth, Martin and Day, Marc (2023). " Visualizations of a methane/diesel RCCI engine using PeleC and PeleLMeX." Physical Review Fluids, Vol. 8, 110511

Uniform-in-Phase-Space Data Selection with Iterative Normalizing Flows

Hassanaly, Malik and Perry, Bruce A. and Mueller, Michael E. and Yellapantula, Shashank (2023). " Uniform-in-Phase-Space Data Selection with Iterative Normalizing Flows." Data-Centric Engineering, Vol.4, e11

Bi-fidelity Modeling of Uncertain and Partially Unknown Systems using DeepONets

De, Subhayan and Reynolds, Matthew and Hassanaly, Malik and King, Ryan N. and Doostan, Alireza (2023)" Bi-fidelity Modeling of Uncertain and Partially Unknown Systems using DeepONets." Computational Mechanics Vol. 71, pp. 1251-1267

An approximate inertial manifold (AIM) based closure for turbulent flows

Akram, Maryam and Hassanaly, Malik and Raman, Venkat. (2022). " An approximate inertial manifold (AIM) based closure for turbulent flows." AIP Advances. 12(7), 075118.

Adversarial sampling of unknown and high-dimensional conditional distributions

Hassanaly, Malik and Glaws, Andrew and Stengel, Karen and King, Ryan N. (2022). " Adversarial sampling of unknown and high-dimensional conditional distributions." Journal of Computational Physics. 450, 110853.

Classification and computation of extreme events in turbulent combustion

Hassanaly, Malik and Raman, Venkat (2021). " Classification and computation of extreme events in turbulent combustion." Progress in Energy and Combustion Science. 87, 100955.

Surface chemistry models for GaAs epitaxial growth and hydride cracking using reacting flow simulations

Hassanaly, Malik and Sitaraman, Hari and Schulte, Kevin L. and Ptak, Aaron J. and Simon, John and Udwary, Kevin and Leach, Jacob H. and Splawn, Heather (2021). " Surface chemistry models for GaAs epitaxial growth and hydride cracking using reacting flow simulations." Journal of Applied Physics. 130(11), 115702.

Data-driven classification and modeling of combustion regimes in detonation waves

Barwey, Shivam and Prakash, Supraj and Hassanaly, Malik and Raman, Venkat (2021). " Data-driven classification and modeling of combustion regimes in detonation waves." Flow, Turbulence and Combustion. 106(4), 1065-1089.

Data-driven analysis of relight variability of jet fuels induced by turbulence

Hassanaly, Malik and Tang, Yihao and Barwey, Shivam and Raman, Venkat (2021). " Data-driven analysis of relight variability of jet fuels induced by turbulence." Combustion and Flame. 225, 453-467.

Probabilistic modeling of forced ignition of alternative jet fuels

Tang, Yihao and Hassanaly, Malik and Raman, Venkat and Sforzo, Brandon A. and Seitzman, Jerry (2021). " Probabilistic modeling of forced ignition of alternative jet fuels." Proceedings of the Combustion Institute. 38(2), 2589-2596.

A priori analysis of reduced description of dynamical systems using approximate inertial manifolds

Akram, Maryam and Hassanaly, Malik and Raman, Venkat (2020). " A priori analysis of reduced description of dynamical systems using approximate inertial manifolds." Journal of Computational Physics. 409, 109344.

Data-based analysis of multimodal partial cavity shedding dynamics

Barwey, Shivam and Ganesh, Harish and Hassanaly, Malik and Raman, Venkat and Ceccio, Steven (2020). " Data-based analysis of multimodal partial cavity shedding dynamics." Experiments in Fluids. 61(4), 1-21.

Lyapunov spectrum of forced homogeneous isotropic turbulent flows

Hassanaly, Malik and Raman, Venkat (2019). " Lyapunov spectrum of forced homogeneous isotropic turbulent flows." Physical Review Fluids. 4(11), 114608.

A self-similarity principle for the computation of rare event probability

Hassanaly, Malik and Raman, Venkat (2019). " A self-similarity principle for the computation of rare event probability." Journal of Physics A: Mathematical and Theoretical. 52(49), 495701.

Experimental data-based reduced-order model for analysis and prediction of flame transition in gas turbine combustors

Barwey, Shivam and Hassanaly, Malik and An, Qiang and Raman, Venkat and Steinberg, Adam (2019). " Experimental data-based reduced-order model for analysis and prediction of flame transition in gas turbine combustors." Combustion Theory and Modelling. 23(6), 994-1020.

Using Machine Learning to Construct Velocity Fields from OH-PLIF Images

Barwey, Shivam and Hassanaly, Malik and Raman, Venkat and Steinberg, Adam (2019). " Using Machine Learning to Construct Velocity Fields from OH-PLIF Images." Combustion Science and Technology. 194(1), 2019.

A comprehensive modeling procedure for estimating statistical properties of forced ignition

Tang, Yihao and Hassanaly, Malik and Raman, Venkat and Sforzo, Brandon and Seitzman, Jerry (2019). " A comprehensive modeling procedure for estimating statistical properties of forced ignition." Combustion and Flame. 206, 158-176.

Numerical convergence of the Lyapunov spectrum computed using low Mach number solvers

Hassanaly, Malik and Raman, Venkat (2019). " Numerical convergence of the Lyapunov spectrum computed using low Mach number solvers." Journal of Computational Physics. 386, 467-485.

Emerging trends in numerical simulations of combustion systems

Raman, Venkat and Hassanaly, Malik (2019). " Emerging trends in numerical simulations of combustion systems." Proceedings of the Combustion Institute. 37(2), 2073-2089.

Ensemble-LES analysis of perturbation response of turbulent partially-premixed flames

Hassanaly, Malik and Raman, Venkat (2019). " Ensemble-LES analysis of perturbation response of turbulent partially-premixed flames." Proceedings of the Combustion Institute. 37(2), 2249-2257.

Large eddy simulation of pressure and dilution-jet effects on soot formation in a model aircraft swirl combustor

Chong, Shao Teng and Hassanaly, Malik and Koo, Heeseok and Mueller, Michael E. and Raman, Venkat and Geigle, Klaus-Peter (2018). " Large eddy simulation of pressure and dilution-jet effects on soot formation in a model aircraft swirl combustor." Combustion and Flame. 192, 452-472.

A minimally-dissipative low-Mach number solver for complex reacting flows in OpenFOAM

Hassanaly, Malik and Koo, Heeseok and Lietz, Christopher F. and Chong, Shao Teng and Raman, Venkat (2018). " A minimally-dissipative low-Mach number solver for complex reacting flows in OpenFOAM." Computer and Fluids. 162, 11-25.

Large-eddy simulation of soot formation in a model gas turbine combustor

Koo, Heeseok and Hassanaly, Malik and Raman, Venkat and Mueller, Michael E. and Geigle, Klaus-Peter (2017). " Large-eddy simulation of soot formation in a model gas turbine combustor." Journal of Engineering for Gas Turbines and Power. 139(3)

Under review

Adversarial Multi-Agent Reinforcement Learning for Proactive False Data Injection Detection

Chen, Kejun and Nguyen, Truc and Hassanaly, MalikPrasad, Romesh and Hassanaly, Malik (2025). "Adversarial Multi-Agent Reinforcement Learning for Proactive False Data Injection Detection." Under Review.

Conference

Discovering the Most Severe K-Point Failure Based on Reinforcement Learning

Chen, Kejun and Sahu, Abhijeet, and Nguyen, Truc and Hassanaly, Malik (2026). "Discovering the Most Severe K-Point Failure Based on Reinforcement Learning." IEEE Green Tech.

BNNVis: Towards Visual Analytics for Bayesian Neural Networks

Appleby, Gabriel and Hassanaly, Malik and Rogers, Jen and Mueller, Juliane and Potter, Kristi (2025). " BNNVis: Towards Visual Analytics for Bayesian Neural Networks." IEEE Visualization and Visual Analytics (VIS).

Swift Hydra: Self-Reinforcing Generative Framework for Anomaly Detection with Multiple Mamba Models

Do, Nguyen H. K. and Nguyen, Truc and Hassanaly, Malik and Alharbi, Raed and Seo, Jung Taek and Thai, My T. (2025). "Swift Hydra: Self-Reinforcing Generative Framework for Anomaly Detection with Multiple Mamba ModelsA." International Conference on Learning Representations (ICLR).

Continual Adversarial Reinforcement Learning (CARL) of False Data Injection detection: forgetting and explainability

Aslami, Pooja and Chen, Kejun and Hansen, Timothy M. and Hassanaly, Malik (2025). "Continual Adversarial Reinforcement Learning (CARL) of False Data Injection detection: forgetting and explainability." IEEE Power Tech.

Equipping Neural Network Surrogates with Uncertainty for Propagation in Physical Systems

Pash, Graham and Hassanaly, Malik and Yellapantula, Shashank (2024). "Equipping Neural Network Surrogates with Uncertainty for Propagation in Physical Systems." SIAM UQ24.

Toward high-throughput deposition of III-V materials and devices using halide vapor phase epitaxy

Ptak, Aaron J. and Hassanaly, Malik and Udwary, Kevin and Leach, Jacob H. and Dodson, Gregg and Splawn, Heather and Schulte, Kevin L. and Simon, John (2024). "Toward high-throughput deposition of III-V materials and devices using halide vapor phase epitaxy." Physics, Simulation, and Photonic Engineering of Photovoltaic Devices XIII.

Discovery of False Data Injection Schemes on Frequency Controllers with Reinforcement Learning

Prasad, Romesh and Hassanaly, Malik and Zhang, Xiangyu and Sahu, Abhijeet (2024). "Discovery of False Data Injection Schemes on Frequency Controllers with Reinforcement Learning." Proceedings of the 2024 IEEE Power and Energy Society General Meeting (PES).

The Pele Simulation Suite for Reacting Flows at Exascale

Henry de Frahan, Marc T. and Escalpez, Lucas and Rood, Jon and Wimer, Nicholas T. and Mullowney Paul and Perry, Bruce A. and Owen, Landon and Sitaraman, Hariswaran and Yellapantula, Shashank and Hassanaly, Malik and Rahimi, Mohammad J. and Martin, Michael J. and Doronina, Olga A. and Nadakkal Appukuttan, Sreejith and Reith, Martin and Ge, Wenjun and Sankaran, Ramanan and Almgren, Ann S. and Zhang, Weiqun and Bell, John B. and Grout, Ray and Day, Marc S. and Chen, Jacqueline H. (2024). "The Pele Simulation Suite for Reacting Flows at Exascale." Proceedings of the 2024 SIAM Conference on Parallel Processing for Scientific Computing (PP).

A baseline for ensemble-based, time-resolved inflow reconstruction for a single turbine using large-eddy simulations and latent diffusion models

Rybchuk, Alex and Martínez-Tossas, Luis A. and Hamilton, Nicholas and Droubrawa, Paula and Vijayakumar, Ganesh and Hassanaly, Malik and Kuhn, Michael B. and Zalkind, Daniel S. (2023). "A baseline for ensemble-based, time-resolved inflow reconstruction for a single turbine using large-eddy simulations and latent diffusion models." Wake Conference.

Examination of a Methane/Diesel RCCI Engine using Pele

Wimer, Nicholas T. and Escalpez, Lucas and Henry de Frahan, Marc and Rahimi, Mohammad and Hassanaly, Malik and Perry, Bruce and Rood, Jon and Yellapantula, Shashank and Sitaraman, Hariswaran and Martin, Michael and Doronina, Olga and Nadakkal Appukuttan, Sreejith and Reith, Martin and Day, Marc. (2023). "Examination of a Methane/Diesel RCCI Engine using Pele." 13th U.S. National Combustion Meeting.

PELE - Transforming Combustion Science and Technology with Exascale Simulations

Chen, Jackie and Day, Marc and Sankaran, Ramanan and Klippenstein, Stephen and Arienti, Marco and Henry de Frahan, Marc and Desai, Swapnil and Esclapez, Lucas and Hassanaly, Malik and Ge, Wenjun and Green, Bill and Grout, Ray and Lu, Tianfeng and Owen, Landon and Rieth, Martin and Rood, Jon and Martin, Michael and Appukuttan, Sreejith Nadakkal and Rahimi, Mohammad and Soriano, Bruno and Wimer, Nicholas and Wolfson-Pou, Jordi and Yellapantula, Shashank (2023). "PELE - Transforming Combustion Science and Technology with Exascale Simulations." Exascale Computing Project Annual Meeting.

Reconstructing Atmospheric Initial Conditions from Synthetic Field Measurements for Turbine Model Validation through Denoising Diffusion Probabilistic Models

Rybchuk, Alex and Hassanaly, Malik and Martinez-Tossas, Luis A. and Hamilton, Nicholas and Fulton, Mitchell J. and Doubrawa, Paula (2023). "Reconstructing Atmospheric Initial Conditions from Synthetic Field Measurements for Turbine Model Validation through Denoising Diffusion Probabilistic Models." 103rd AMS Meeting.

Simulation of an RCCI Engine using the Pele Suite of Exascale Codes
🏆 Milton Van Dyke Award

Wimer, Nicholas and Esclapez, Lucas and Brunhart-Lupo, Nicholas and Henry de Frahan, Marc and Rahimi, Mohammad and Hassanaly, Malik and Rood, Jon and Yellapantula, Shashank and Sitaraman, Hariswaran and Perry, Bruce and Martin, Michael and Doronina, Olga and Nadakkal Appukuttan, Sreejith and Rieth, Martin and Day, Marc (2022). " Simulation of an RCCI Engine using the Pele Suite of Exascale Codes." 75th Annual Meeting of the APS Division of Fluid Dynamics.

Impact of Variable Gas Mixtures on Bubble Size Distribution and Mass Transfer in Gas Fermentation Reactors

Sitaraman, Hari and Hassanaly, Malik and Parra-Alvarez, Milo and Rahimi, Mohammad and Stickel, Jonathan " Impact of Variable Gas Mixtures on Bubble Size Distribution and Mass Transfer in Gas Fermentation Reactors (2022)." AIChE Annual Meeting

Physics-Informed Neural Network Modeling of Li-ion Batteries

Hassanaly, Malik and Weddle, Peter and Smith, Kandler and De, Subhayan and Doostan, Alireza and King, Ryan N (2022). " Physics-Informed Neural Network Modeling of Li-ion Batteries." 242nd ECS Meeting.

Iterative Workflow for Quantification and Minimization of Reduced Chemistry-Induced Uncertainties in Reacting Flow Simulation

Pang, Hao-Wei and Hassanaly, Malik and Perry, Bruce and Day, Marc and Green, William H (2022). " Iterative Workflow for Quantification and Minimization of Reduced Chemistry-Induced Uncertainties in Reacting Flow Simulation." WIPP 39th International Symposium on Combustion.

GANISP: a GAN-assisted Importance SPlitting Probability Estimator

Hassanaly, Malik and Glaws, Andrew and King, Ryan N. (2021). " GANISP: a GAN-assisted Importance SPlitting Probability Estimator." AAAI Workshop ADAM.

Optimization of Hydride Vapor Phase Epitaxy (HVPE) Deposition Reactor manufacturing III-V Materials using multiple Large-Eddy Simulations (LES)

Hassanaly, Malik and Sitaraman, Hari and Udwary, Kevin and Schulte, Kevin L. and Splawn, Heather and Ptak, Aaron and Simon (2020). " Optimization of Hydride Vapor Phase Epitaxy (HVPE) Deposition Reactor Manufacturing III-V Materials Using Multiple Large-Eddy Simulations (LES)." AIChE Annual Meeting.

Simulation of gas turbine ignition using large eddy simulation approach

Tang, Yihao and Hassanaly, Malik and Raman, Venkat and Sforzo, Brandon A. and Wei, Sheng and Seitzman, Jerry M. (2018). " Simulation of gas turbine ignition using large eddy simulation approach." ASME Turbo Expo. 51067, V04BT04A007.

Turbulent mixing and combustion of supercritical jets

Chong, Shao Teng and Tang, Yihao and Hassanaly, Malik and Raman, Venkat (2017). " Turbulent mixing and combustion of supercritical jets." 55th AIAA Aerospace Sciences Meeting. 0141

Perturbation dynamics in turbulent flames

Hassanaly, Malik and Raman, Venkat (2017). " Perturbation dynamics in turbulent flames." 55th AIAA Aerospace Sciences Meeting. 1100

Large eddy simulation of flame stabilization in a multi-jet burner using a non-adiabatic flamelet approach

Tang, Yihao and Hassanaly, Malik and Raman, Venkat (2016). "Large eddy simulation of flame stabilization in a multi-jet burner using a non-adiabatic flamelet approach." 54th AIAA Aerospace Sciences Meeting. 1395

Large Eddy Simulation of Flame Flashback in Swirling Premixed CH4/H2-Air Flames

Lietz, Christopher F. and Hassanaly, Malik and Raman, Venkat (2015). "Large Eddy Simulation of Flame Flashback in Swirling Premixed CH4/H2-Air Flames." 53rd AIAA Aerospace Sciences Meeting. 0844

Influence of Fuel Stratification on Turbulent Flame Propagation

Hassanaly, Malik and Raman, Venkat and Koo, Heeseok and Colkett, Meredith B. (2015). "Influence of Fuel Stratification on Turbulent Flame Propagation." 53rd AIAA Aerospace Sciences Meeting. 0426

LES of Premixed Flame Flashback in a Turbulent Channel

Lietz, Christopher F. and Hassanaly, Malik and Raman, Venkat and Kolla, Hemanth and Chen, Jacqueline and Gruber, Andrea (2014). "LES of Premixed Flame Flashback in a Turbulent Channel." 52nd AIAA Aerospace Sciences Meeting. 0824

Thesis

Extreme events in turbulent combustion

Hassanaly, Malik (2019). " Extreme events in Turbulent Combustion." PhD Dissertation.

Large eddy simulations (LES) of boundary layer flashback in wall-bounded flows

Hassanaly, Malik (2014). " Large eddy simulations (LES) of boundary layer flashback in wall-bounded flows." Master Thesis.