publications

52 peer-reviewed publications · 2100+ citations · h-index 24 · i10-index 30

A complete chronological list of my publications. My name is underlined in author lists. Selected papers are highlighted on the homepage. For metrics and the latest record, see my Google Scholar profile.

Preprints & Under Review

2026

  1. arXiv
    AutoMOOSE: An Agentic AI for Autonomous Phase-Field Simulation
    Sukriti Manna, Henry Chan, and Subramanian K. R. S. Sankaranarayanan
    2026
    Under review
  2. arXiv
    AutoMOOSE: Use Case and Logical Views of Agentic Phase-Field Simulation Software
    Sukriti Manna, Henry Chan, and Subramanian K. R. S. Sankaranarayanan
    2026
    Systems and engineering perspective companion to arXiv:2603.20986
  3. Research Sq.
    Long-Range Electrostatics and Born Effective Charges from Invariant Moment Tensor Potentials with Latent Ewald Summation (MTP-LES)
    Abibat Adekoya-Olowofela, Sukriti Manna, Shola Folarin, Aditya Koneru, Christopher Knight, and Subramanian K. R. S. Sankaranarayanan
    2026
    Under review at npj Computational Materials

2025

  1. arXiv
    Physics-Informed Tree Search for High-Dimensional Computational Design
    Suvo Banik, Troy D. Loeffler, Henry Chan, Sukriti Manna, Ozgur Yildiz, Tom Peterka, and Subramanian K. R. S. Sankaranarayanan
    2025
    Under review
  2. arXiv
    Phase-Field Modeling of Two-Phase Flows: A Projection-Based Cahn–Hilliard–Navier–Stokes Framework
    Sukriti Manna, Constantine M. Megaridis, and Subramanian K. R. S. Sankaranarayanan
    2025
    Under review
  3. arXiv
    Generalized Machine Learning Potential Models for Elemental Nanoclusters
    Suvo Banik, Akshay Aggarwal, Sukriti Manna, Partha S. Dutta, and Subramanian K. R. S. Sankaranarayanan
    2025
    Under review

Accepted / In Press

2026

  1. arXiv
    Data-Driven Discovery of Process–Structure Relationships in Additive Manufacturing via Featurization from Kinetic Monte Carlo Simulations and Interpretable Machine Learning
    Dipayan Sanpui, Henry Chan, Aditya Koneru, Suvo Banik, Sukriti Manna, and Subramanian K. R. S. Sankaranarayanan
    2026
    Accepted, Machine Learning with Applications, 2026 (in press)
  2. Nat. Commun.
    Two-Dimensional Layered High-Entropy Alloys: Road to Superior Thermal and Electrical Characteristics of Transition Metal Chalcogenides
    Alireza Ahmadiparidari, Shuoxun Wang, Sukriti Manna, Sina Namvar, Zahra Hemmat, Kushal Kumar, Srilok Srinivasan, Tian Yang, Hamed Shahbazi, Leily Majidi, Igor Bolotin, Pierre Darancet, Maria Chan, Jordi Cabana, Nathan P. Guisinger, Yi Liu, Zhennan Huang, Subramanian K. R. S. Sankaranarayanan, and Amin Salehi-Khojin
    2026
    Accepted, Nature Communications, 2026 (in press)

Peer-Reviewed Journal Articles

2026

  1. ACS Omega
    Interface and Thermophysical Properties of R32 Refrigerant
    Abibat Adekoya-Olowofela, Sukriti Manna, and Subramanian K. R. S. Sankaranarayanan
    ACS Omega, 2026
  2. J. Phys. Chem. C
    Machine Learning an Ab-initio Based Bond-Order Potential for Bismuthene
    Partha S. Dutta, Aditya Koneru, Adil Muhammed, Henry Chan, Karthik Balasubramanian, Sukriti Manna, Troy D. Loeffler, Kiran Sasikumar, Pierre Darancet, and Subramanian K. R. S. Sankaranarayanan
    The Journal of Physical Chemistry C, 2026
  3. J. Phys. Chem. Lett.
    Edge-Localized Strain in MoS2 Nanobubbles Resolved at 5 nm by Chemical Imaging and Geometric Mechanics
    Sayantan Mahapatra, Soumyajit Rajak, Sukriti Manna, Tomojit Chowdhury, Ce Liang, Subramanian K. R. S. Sankaranarayanan, Nathan P. Guisinger, Jeffrey R. Guest, and Nan Jiang
    The Journal of Physical Chemistry Letters, 2026
  4. npj Comput. Mater.
    Physically Interpretable Interatomic Potentials via Symbolic Regression and Reinforcement Learning
    Bilvin Varughese, Troy D. Loeffler, Suvo Banik, Aditya Koneru, Sukriti Manna, Karthik Balasubramanian, Rohit Batra, Mathew J. Cherukara, Ozgur Yildiz, Tom Peterka, Bobby G. Sumpter, and Subramanian K. R. S. Sankaranarayanan
    npj Computational Materials, 2026
  5. Eng. Reports
    Comparison of Deterministic and Probabilistic Machine Learning Algorithms for Precise Dimensional Control and Uncertainty Quantification in Additive Manufacturing
    Dipayan Sanpui, Ajay Chandra, Henry Chan, Sukriti Manna, and Subramanian K. R. S. Sankaranarayanan
    Engineering Reports, 2026

2025

  1. Mater. Today
    Solid Lubricant Mo2TiC2Tx MXene Coatings with Prolonged Macroscale Superlubricity
    Sai V. Sunkara, Sukriti Manna, Diego F. Zambrano, Brian C. Wyatt, Joseph Patenaude, Brett G. Wright, Yi Liu, Subramanian K. R. S. Sankaranarayanan, Babak Anasori, Andreas Rosenkranz, and Anirudha V. Sumant
    Materials Today, 2025
  2. Mater. Today Adv.
    Development and Assessment of Hierarchical Multi-Reward Reinforcement Learning Based Potential for Silicene with State-of-the-art Models
    Aditya Koneru, Partha S. Dutta, Adil Muhammed, Henry Chan, Karthik Balasubramanian, Sukriti Manna, Kiran Sasikumar, Pierre Darancet, and Subramanian K. R. S. Sankaranarayanan
    Materials Today Advances, 2025
  3. Small
    Self-Lubricating Tribo-catalytic Activity of Two-Dimensional High Entropy Alloy Nanoflakes
    Shuoxun Wang, Sai V. Sunkara, Sukriti Manna, Alireza Ahmadiparidari, Kushal Kumar, Tian Yang, Sina Namvar, Zhennan Huang, Jordi Cabana, Subramanian K. R. S. Sankaranarayanan, Yi Liu, Anirudha V. Sumant, and Amin Salehi-Khojin
    Small, 2025
  4. ACS Nano
    Kelvin Force Imaging of Synaptic Plasticity in Hydrogenated Perovskite Nickelate Multibit Memory Devices
    Tushar Dey, Xinyi Lai, Sukriti Manna, Kshitij Patel, Ravindra S. Bisht, Yifei Zhou, Surbhi Shah, Eva Y. Andrei, Subramanian K. R. S. Sankaranarayanan, Duygu Kuzum, Catherine D. Schuman, and Shriram Ramanathan
    ACS Nano, 2025
  5. Comp. Mater. Sci.
    Machine Learning Enabled Discovery of Superhard And Ultrahard Carbon Polymorphs
    Karthik Balasubramanian, Sukriti Manna, Suvo Banik, Srilok Srinivasan, Rohit Batra, and Subramanian K. R. S. Sankaranarayanan
    Computational Materials Science, 2025
  6. Comp. Mater. Sci.
    Data-Driven Insights into the Characteristics of Wide Bandgap Semiconductors in 2D Materials
    Karthik Balasubramanian, Sukriti Manna, and Subramanian K. R. S. Sankaranarayanan
    Computational Materials Science, 2025

2024

  1. J. Phys. Chem. A
    Development of a Machine Learning Potential to Study the Structure and Thermodynamics of Nickel Nanoclusters
    Suvo Banik, Partha S. Dutta, Sukriti Manna, and Subramanian K. R. S. Sankaranarayanan
    The Journal of Physical Chemistry A(Featured on the cover) , 2024
  2. J. Phys. Chem. A
    Ab Initio-Based Bond Order Potential for Arsenene Polymorphs Developed via Hierarchical Reinforcement Learning
    Aditya Koneru, Adil Muhammad, Karthik Balasubramanian, Kiran Sasikumar, Sukriti Manna, Henry Chan, and Subramanian K. R. S. Sankaranarayanan
    The Journal of Physical Chemistry A, 2024
  3. J. Chem. Theory Comput.
    Machine Learning Simple Interpretable Short Range Potential for Silica
    Aditya Koneru, Henry Chan, Sukriti Manna, Suvo Banik, Valeria Molinero, and Subramanian K. R. S. Sankaranarayanan
    Journal of Chemical Theory and Computation(Featured on the cover) , 2024
  4. ACS Appl. Mater. Interfaces
    Active and Transfer Learning of High Dimensional Neural Network Potentials for Transition Metals
    Bilvin Varughese, Sukriti Manna, Troy D. Loeffler, Rohit Batra, Mathew Cherukara, and Subramanian K. R. S. Sankaranarayanan
    ACS Applied Materials & Interfaces, 2024
  5. Comp. Mater. Sci.
    Machine Learning for Elastic Properties of Materials: A Predictive Benchmarking Study in a Domain-Segmented Feature Space
    Suvo Banik, Karthik Balasubramanian, Sukriti Manna, Sybil Derrible, and Subramanian K. R. S. Sankaranarayanan
    Computational Materials Science, 2024
  6. Nano Lett.
    Sub-nanometre Scale Doping Heterogeneity of Partially Hydrogenated Vanadium Dioxide
    Alexandre Pofelski, Hui Jia, Sicong Deng, Heshan Yu, Tae Joon Park, Sukriti Manna, Maria K. Y. Chan, Subramanian K. R. S. Sankaranarayanan, Shriram Ramanathan, and Yimei Zhu
    Nano Letters, 2024
  7. ACS Nano
    Infrared Nanoimaging of Hydrogenated Perovskite Nickelate Memristive Devices
    Sampath Gamage, Sukriti Manna, Marc Zajac, Sasha Hancock, Qi Wang, Saurabh Singh, Mahsa Ghafari, Kaichen Yao, Tom Tiwald, Tae Joon Park, David P. Landau, Haiyan Wen, Subramanian K. R. S. Sankaranarayanan, Pierre Darancet, Shriram Ramanathan, and Yohannes Abate
    ACS Nano, 2024
  8. APL Mach. Learn.
    Learning the Stable and Metastable Phase Diagram to Accelerate the Discovery of Metastable Phases of Boron
    Karthik Balasubramanian, Suvo Banik, Sukriti Manna, Srilok Srinivasan, and Subramanian K. R. S. Sankaranarayanan
    APL Machine Learning, 2024
  9. Comp. Mater. Sci.
    Understanding Structure-Processing Relationships in Metal Additive Manufacturing via Featurization of Microstructural Images
    Dipayan Sanpui, Ajay Chandra, Sukriti Manna, Partha S. Dutta, Maria K. Y. Chan, Henry Chan, and Subramanian K. R. S. Sankaranarayanan
    Computational Materials Science, 2024

2023

  1. npj Comput. Mater.
    A Continuous Action Space Tree Search for Inverse Design (CASTING) Framework for Materials Discovery
    Suvo Banik, Troy D. Loeffler, Sukriti Manna, Srilok Srinivasan, Pierre Darancet, Henry Chan, Alexander Hexemer, and Subramanian K. R. S. Sankaranarayanan
    npj Computational Materials, 2023
  2. Sci. Adv.
    Selective Area Doping for Mott Neuromorphic Electronics
    Sicong Deng, Heshan Yu, Tae Joon Park, ANM Nafiul Islam, Sukriti Manna, Alexandre Pofelski, Qi Wang, Yimei Zhu, Subramanian K. R. S. Sankaranarayanan, Abhronil Sengupta, and Shriram Ramanathan
    Science Advances, 2023
  3. Mater. Manuf. Process.
    Machine-Learning of Piezoelectric Coefficients for Wurtzite Crystals
    Sukriti Manna, Min Wang, Alexandru Barbu, and Cristian V. Ciobanu
    Materials and Manufacturing Processes, 2023
  4. Sci. Data
    A Database to Enable the Design and Discovery of Atomically Precise Nanoclusters
    Sukriti Manna, Yunzhe Wang, Alberto Hernandez, Peter Lile, Shuai Liu, and Tim Mueller
    Scientific Data, 2023
  5. Comp. Mater. Sci.
    Understanding and Control of Zener Pinning via Phase Field and Ensemble Learning
    Sukriti Manna, Henry Chan, Avishek Ghosh, Tushar Chakrabarti, and Subramanian K. R. S. Sankaranarayanan
    Computational Materials Science, 2023
  6. npj Comput. Mater.
    Multi-Reward Reinforcement Learning Based Development of Inter-atomic Potential Models for Silica
    Aditya Koneru, Henry Chan, Sukriti Manna, Suvo Banik, Valeria Molinero, and Subramanian K. R. S. Sankaranarayanan
    npj Computational Materials, 2023
  7. Comp. Mater. Sci.
    Elastemp—A Workflow to Compute the Quasi-Harmonic Temperature-Dependent Elastic Constants for Materials
    Karthik Balasubramanian, Sukriti Manna, and Subramanian K. R. S. Sankaranarayanan
    Computational Materials Science, 2023
  8. npj Comput. Mater.
    CEGANN: Crystal Edge Graph Attention Neural Network for Multiscale Classification of Materials Environment
    Suvo Banik, Debdas Dhabal, Henry Chan, Sukriti Manna, Mathew Cherukara, Valeria Molinero, and Subramanian K. R. S. Sankaranarayanan
    npj Computational Materials, 2023

2022

  1. Nat. Commun.
    Learning in Continuous Action Space for Determination of High Dimensional Potential Energy Surfaces
    Sukriti Manna, Troy D. Loeffler, Rohit Batra, Suvo Banik, Henry Chan, Bilvin Varughese, Kiran Sasikumar, Michael Sternberg, Tom Peterka, Mathew Cherukara, Stephen Gray, Bobby G. Sumpter, and Subramanian K. R. S. Sankaranarayanan
    Nature Communications(Featured in Nature Communications Collection on Machine Learning for Chemistry) , 2022
  2. Science
    Reconfigurable Perovskite Electronics for Artificial Intelligence
    Hai-Tian Zhang, Tae Joon Park, ANM Nafiul Islam, Dat S. J. Tran, Sukriti Manna, Qi Wang, Sukirti Mondal, Heshan Yu, Suvo Banik, Shaobo Cheng, Hua Zhou, Sampath Gamage, Sayantan Mahapatra, Yimei Zhu, Yohannes Abate, Nan Jiang, Subramanian K. R. S. Sankaranarayanan, Abhronil Sengupta, Christof Teuscher, and Shriram Ramanathan
    Science, 2022
  3. Nano Lett.
    Perovskite p-bits for Probabilistic Computing
    Tae Joon Park, Kerem Selçuk, Hai-Tian Zhang, Sukriti Manna, Rohit Batra, Qi Wang, Heshan Yu, Subramanian K. R. S. Sankaranarayanan, Kerem Y. Camsari, and Shriram Ramanathan
    Nano Letters, 2022
  4. Adv. Mater.
    Complex Oxide Materials, Devices and Networks for Brain-Inspired Computing: A Review
    Tae Joon Park, Sicong Deng, Sukriti Manna, ANM Nafiul Islam, Heshan Yu, Yongqi Yuan, Dillon D. Fong, Alexander A. Chubykin, Abhronil Sengupta, Subramanian K. R. S. Sankaranarayanan, and Shriram Ramanathan
    Advanced Materials, 2022
  5. npj Comput. Mater.
    Accelerated Prediction of Atomically Precise Cluster Structures Using On-the-fly Machine Learning
    Yunzhe Wang, Shuai Liu, Peter Lile, Samuel Norwood, Alberto Hernandez, Sukriti Manna, and Tim Mueller
    npj Computational Materials, 2022
  6. Nat. Commun.
    Machine Learning the Metastable Phase Diagram of Materials
    Srilok Srinivasan, Rohit Batra, Duo Luo, Troy D. Loeffler, Sukriti Manna, Henry Chan, Lei Yang, Wenge Yang, Jianguo Wen, Pierre Darancet, and Subramanian K. R. S. Sankaranarayanan
    Nature Communications, 2022
  7. J. Phys. Chem. Lett.
    Multi-Reward Reinforcement Learning Based Bond Order Potential to Study Strain-Assisted Phase Transitions in Phosphorene
    Aditya Koneru, Rohit Batra, Sukriti Manna, Troy D. Loeffler, Henry Chan, Harish Singh, Mathew Cherukara, and Subramanian K. R. S. Sankaranarayanan
    The Journal of Physical Chemistry Letters(Featured on the cover) , 2022
  8. ACS Appl. Mater. Interfaces
    Unusual High Hardness and Load-Dependent Mechanical Characteristics of Hydrogenated Carbon-Nitrogen Hybrid Films
    Neeraj Dwivedi, Karthik Balasubramanian, Rashmi Sahu, Sukriti Manna, Suvo Banik, Chetna Dhand, Rajesh Kumar, Sajid Hashmi, Atul K. Srivastava, Mohammad S. M. Saifullah, and Subramanian K. R. S. Sankaranarayanan
    ACS Applied Materials & Interfaces, 2022

2021

  1. ACS Nano
    High-Entropy 2D Carbide MXenes: TiVNbMoC3 and TiVCrMoC3
    Sai K. Nemani, Bowen Zhang, Brian C. Wyatt, Zachary D. Hood, Sukriti Manna, Reza Khaledialidusti, Wei Hong, Michael G. Sternberg, Subramanian K. R. S. Sankaranarayanan, and Babak Anasori
    ACS Nano, 2021

2020

  1. ChemCatChem
    Active Learning a Neural Network Model for Gold Clusters and Bulk from Sparse First Principles Training Data
    Troy D. Loeffler, Sukriti Manna, Tarak K. Patra, Henry Chan, Badri Narayanan, and Subramanian K. R. S. Sankaranarayanan
    ChemCatChem(Featured on the cover) , 2020
  2. Nat. Commun.
    Perovskite Neural Trees
    Hai-Tian Zhang, Tae Joon Park, Ivan A. Zaluzhnyy, Qi Wang, Suresh Nagnath Wadekar, Sukriti Manna, Robert Andrawis, Phillip O. Sprau, Yifei Sun, Zhen Zhang, Chongzhao Huang, Hua Zhou, Zhan Zhang, Badri Narayanan, Ganesh Srinivasan, Nong Hua, Evgeny Nazaretski, Xiaojing Huang, Hanfei Yan, Mingyuan Ge, Yong S. Chu, Mathew J. Cherukara, Martin V. Holt, Mohan Krishnamurthy, Oleg G. Shpyrko, Subramanian K. R. S. Sankaranarayanan, Alex Frano, Kaushik Roy, and Shriram Ramanathan
    Nature Communications, 2020

2018

  1. J. Mater. Chem. A
    Ionic vs. van der Waals Layered Materials: Identification and Comparison of Elastic Anisotropy
    Robert W. McKinney, Prashun Gorai, Sukriti Manna, Eric S. Toberer, and Vladan Stevanović
    Journal of Materials Chemistry A(Journal of Materials Chemistry A HOT Papers collection) , 2018
  2. Comp. Mater. Sci.
    Effect of Coherent Precipitates on Zener Pinning
    Tamoghna Chakraborti and Sukriti Manna
    Computational Materials Science, 2018
  3. J. Mater. Chem. C
    Large Piezoelectric Response of van der Waals Layered Solids
    Sukriti Manna, Prashun Gorai, Geoff L. Brennecka, Cristian V. Ciobanu, and Vladan Stevanović
    Journal of Materials Chemistry C, 2018
  4. IEEE T-UFFC
    Characterization of Elastic Modulus Across the Al(1-x)Sc(x)N System Using DFT and Nanoindentation
    Dong Wu, Yachao Chen, Sukriti Manna, Kevin R. Talley, Andriy Zakutayev, Cristian V. Ciobanu, Paul Constantine, Geoff L. Brennecka, and Corinne E. Packard
    IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control, 2018
  5. Phys. Rev. Appl.
    Enhanced Piezoelectric Response of AlN via CrN Alloying
    Sukriti Manna, Kevin R. Talley, Prashun Gorai, John Mangum, Andriy Zakutayev, Geoff L. Brennecka, Vladan Stevanović, and Cristian V. Ciobanu
    Physical Review Applied, 2018
  6. J. Phys. Chem. C
    Thermodynamic Stability of Molybdenum Oxycarbides Formed from Orthorhombic Mo2C in Oxygen-Rich Environments
    Sri Ranga Jai Likith, Carrie A. Farberow, Sukriti Manna, Abdulfattah Abdulslam, Vladan Stevanović, Daniel A. Ruddy, Joshua A. Schaidle, David J. Robichaud, and Cristian V. Ciobanu
    The Journal of Physical Chemistry C, 2018
  7. J. Am. Ceram. Soc.
    Thermal Regimes of Li-ion Conductivity in β-Eucryptite
    Yachao Chen, Sukriti Manna, Cristian V. Ciobanu, and Ivar E. Reimanis
    Journal of the American Ceramic Society, 2018

2017

  1. Mater. Des.
    Grain Boundary Driven Plateau–Rayleigh Instability in Multilayer Nanocrystalline Thin Film: A Phase-Field Study
    Tushar Chakrabarti, Neha Verma, and Sukriti Manna
    Materials & Design, 2017
  2. J. Appl. Phys.
    Tuning the Piezoelectric and Mechanical Properties of the AlN System via Alloying with YN and BN
    Sukriti Manna, Geoff L. Brennecka, Vladan Stevanović, and Cristian V. Ciobanu
    Journal of Applied Physics(Editor’s Pick; featured in AIP Scilight) , 2017

2016

  1. Scr. Mater.
    Pressure Induced Phase Transformation in β-Eucryptite: An X-ray Diffraction and Density Functional Theory Study
    Yachao Chen, Sukriti Manna, Badri Narayanan, Zhao Wang, Ivar E. Reimanis, and Cristian V. Ciobanu
    Scripta Materialia, 2016
  2. JMSCE
    Comparative Studies on Synthesis and Characterization of Titania and Iron Oxide Doped Magnesia from Indian Salem Magnesite
    Sukriti Manna and Tamoghna Chakraborti
    Journal of Materials Science and Chemical Engineering, 2016

Conference Proceedings

2025

  1. IEEE EDTM
    A Digital Twin for Advanced Manufacturing of Materials
    Dipayan Sanpui, Ajay Chandra, Sukriti Manna, Henry Chan, and Subramanian K. R. S. Sankaranarayanan
    In 9th IEEE Electron Devices Technology and Manufacturing Conference (EDTM 2025), 2025

2023

  1. M&M
    Dopant Mapping of Partially Hydrogenated Vanadium Dioxide using the Energy Loss Near Edge Structure Technique
    Alexandre Pofelski, Sicong Deng, Heshan Yu, Tae Joon Park, Hui Jia, Sukriti Manna, Maria K. Y. Chan, Subramanian K. R. S. Sankaranarayanan, Shriram Ramanathan, and Yimei Zhu
    In Microscopy and Microanalysis, 2023

2017

  1. Characterization and Modeling of Elastic Modulus Across the (Al, Sc)N System
    Corinne E. Packard, Dong Wu, Kevin R. Talley, Sukriti Manna, Cristian V. Ciobanu, Paul Constantine, Geoff Brennecka, and Andriy Zakutayev
    In Composites at Lake Louise, 2017
  2. Combinatorial Studies on the Effect of Boron Addition to the Aluminum-Scandium Nitride System
    Kevin R. Talley, Sukriti Manna, Andriy Zakutayev, Corinne E. Packard, Cristian V. Ciobanu, and Geoff L. Brennecka
    In Proceedings of the 18th US-Japan Seminar on Advanced Dielectrics and Piezoelectrics, 2017

Education & Outreach

2018

  1. Am. Ceram. Soc. Bull.
    Computational Discovery of New Piezoelectric Materials
    Sukriti Manna
    American Ceramic Society Bulletin, 2018

Patents

2019

  1. Patent
    Tuning the Piezoelectric and Mechanical Properties of the AlN System via Alloying with YN and BN
    Sukriti Manna, Geoff L. Brennecka, Vladan Stevanović, and Cristian V. Ciobanu
    2019
    U.S. Provisional Patent Application #P267260