publications

2026

1. J. Phys. Chem. C

   Machine Learning an Ab-initio Based Bond-Order Potential for Bismuthene

   Partha S. Dutta, Aditya Koneru, Adil Muhammed, and 7 more authors

   The Journal of Physical Chemistry C, 2026

   DOI Bib

   @article{dutta2026bismuthene,
     category = {journal},
     title = {Machine Learning an Ab-initio Based Bond-Order Potential for Bismuthene},
     author = {Dutta, Partha S. and Koneru, Aditya and Muhammed, Adil and Chan, Henry and Balasubramanian, Karthik and Manna, Sukriti and Loeffler, Troy D. and Sasikumar, Kiran and Darancet, Pierre and Sankaranarayanan, Subramanian K. R. S.},
     journal = {The Journal of Physical Chemistry C},
     volume = {130},
     number = {12},
     pages = {4584--4595},
     year = {2026},
     doi = {10.1021/acs.jpcc.5c08318},
   }

2. J. Phys. Chem. Lett.

   Edge-Localized Strain in MoS2 Nanobubbles Resolved at 5 nm by Chemical Imaging and Geometric Mechanics

   Soumyabrata Mahapatra, Sanjit Rajak, Sukriti Manna, and 6 more authors

   The Journal of Physical Chemistry Letters, 2026

   DOI Bib

   @article{mahapatra2026mos2,
     category = {journal},
     title = {Edge-Localized Strain in {MoS2} Nanobubbles Resolved at 5\,nm by Chemical Imaging and Geometric Mechanics},
     author = {Mahapatra, Soumyabrata and Rajak, Sanjit and Manna, Sukriti and Chowdhury, Tania and Liang, Chao and Sankaranarayanan, Subramanian K. R. S. and Guisinger, Nathan P. and Jiang, Nan and Guest, Jeffrey R.},
     journal = {The Journal of Physical Chemistry Letters},
     volume = {117},
     number = {3},
     pages = {720--727},
     year = {2026},
     doi = {10.1021/acs.jpclett.5c03379},
   }

3. npj Comput. Mater.

   Physically Interpretable Interatomic Potentials via Symbolic Regression and Reinforcement Learning

   Bilvin Varughese, Troy D. Loeffler, Suvo Banik, and 9 more authors

   npj Computational Materials, 2026

   DOI Bib

   @article{varughese2026symbolic,
     category = {journal},
     title = {Physically Interpretable Interatomic Potentials via Symbolic Regression and Reinforcement Learning},
     author = {Varughese, Bilvin and Loeffler, Troy D. and Banik, Suvo and Koneru, Aditya and Manna, Sukriti and Balasubramanian, Karthik and Batra, Rohit and Cherukara, Mathew J. and Yildiz, Ozgur and Peterka, Tom and Sumpter, Bobby G. and Sankaranarayanan, Subramanian K. R. S.},
     journal = {npj Computational Materials},
     volume = {12},
     pages = {84},
     year = {2026},
     doi = {10.1038/s41524-025-01952-4},
   }

4. 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, and 2 more authors

   Engineering Reports, 2026

   DOI Bib

   @article{sanpui2026probabilistic,
     category = {journal},
     title = {Comparison of Deterministic and Probabilistic Machine Learning Algorithms for Precise Dimensional Control and Uncertainty Quantification in Additive Manufacturing},
     author = {Sanpui, Dipayan and Chandra, Ajay and Chan, Henry and Manna, Sukriti and Sankaranarayanan, Subramanian K. R. S.},
     journal = {Engineering Reports},
     volume = {8},
     number = {3},
     pages = {e70680},
     year = {2026},
     doi = {10.1016/j.mattod.2025.12.009},
   }

2025

1. ACS Omega

   Interface and Thermophysical Properties of R32 Refrigerant

   Abibat Adekoya-Olowofela, Sukriti Manna, and Subramanian K. R. S. Sankaranarayanan

   ACS Omega, 2025

   Accepted

   Bib

   @article{adekoyaolowofela2025r32,
     category = {journal},
     title = {Interface and Thermophysical Properties of {R32} Refrigerant},
     author = {Adekoya-Olowofela, Abibat and Manna, Sukriti and Sankaranarayanan, Subramanian K. R. S.},
     journal = {ACS Omega},
     year = {2025},
     note = {Accepted},
   }

2. Mater. Today

   Solid Lubricant Mo2TiC2Tx MXene Coatings with Prolonged Macroscale Superlubricity

   Sai V. Sunkara, Sukriti Manna, Diego F. Zambrano, and 8 more authors

   Materials Today, 2025

   DOI Bib

   @article{sunkara2025mxene,
     category = {journal},
     title = {Solid Lubricant {Mo2TiC2Tx} {MXene} Coatings with Prolonged Macroscale Superlubricity},
     author = {Sunkara, Sai V. and Manna, Sukriti and Zambrano, Diego F. and Wyatt, Brian C. and Patenaude, Joseph and Wright, Brett G. and Liu, Yi and Sankaranarayanan, Subramanian K. R. S. and Anasori, Babak and Rosenkranz, Andreas and Sumant, Anirudha V.},
     journal = {Materials Today},
     volume = {92},
     pages = {294--303},
     year = {2025},
     doi = {10.1016/j.mattod.2025.12.009},
   }

3. 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, and 6 more authors

   Materials Today Advances, 2025

   DOI Bib

   @article{koneru2025silicene,
     category = {journal},
     title = {Development and Assessment of Hierarchical Multi-Reward Reinforcement Learning Based Potential for Silicene with State-of-the-art Models},
     author = {Koneru, Aditya and Dutta, Partha S. and Muhammed, Adil and Chan, Henry and Balasubramanian, Karthik and Manna, Sukriti and Sasikumar, Kiran and Darancet, Pierre and Sankaranarayanan, Subramanian K. R. S.},
     journal = {Materials Today Advances},
     volume = {26},
     pages = {100583},
     year = {2025},
     doi = {10.1016/j.mtadv.2025.100583},
   }

4. Small

   Self-Lubricating Tribo-catalytic Activity of Two-Dimensional High Entropy Alloy Nanoflakes

   Shuoxun Wang, Sai V. Sunkara, Sukriti Manna, and 10 more authors

   Small, 2025

   DOI Bib

   @article{wang2025tribocatalytic,
     category = {journal},
     title = {Self-Lubricating Tribo-catalytic Activity of Two-Dimensional High Entropy Alloy Nanoflakes},
     author = {Wang, Shuoxun and Sunkara, Sai V. and Manna, Sukriti and Ahmadiparidari, Alireza and Kumar, Kushal and Yang, Tian and Namvar, Sina and Huang, Zhennan and Cabana, Jordi and Sankaranarayanan, Subramanian K. R. S. and Liu, Yi and Sumant, Anirudha V. and Salehi-Khojin, Amin},
     journal = {Small},
     volume = {21},
     pages = {2500322},
     year = {2025},
     doi = {10.1002/smll.202500322},
   }

5. ACS Nano

   Kelvin Force Imaging of Synaptic Plasticity in Hydrogenated Perovskite Nickelate Multibit Memory Devices

   Tushar Dey, Xinyi Lai, Sukriti Manna, and 9 more authors

   ACS Nano, 2025

   DOI Bib

   @article{dey2025nickelate,
     category = {journal},
     title = {Kelvin Force Imaging of Synaptic Plasticity in Hydrogenated Perovskite Nickelate Multibit Memory Devices},
     author = {Dey, Tushar and Lai, Xinyi and Manna, Sukriti and Patel, Kshitij and Bisht, Ravindra S. and Zhou, Yifei and Shah, Surbhi and Andrei, Eva Y. and Sankaranarayanan, Subramanian K. R. S. and Kuzum, Duygu and Schuman, Catherine D. and Ramanathan, Shriram},
     journal = {ACS Nano},
     volume = {19},
     number = {7},
     pages = {6815--6825},
     year = {2025},
     doi = {10.1021/acsnano.4c11567},
   }

6. Comp. Mater. Sci.

   Machine Learning Enabled Discovery of Superhard And Ultrahard Carbon Polymorphs

   Karthik Balasubramanian, Sukriti Manna, Suvo Banik, and 3 more authors

   Computational Materials Science, 2025

   DOI Bib

   @article{balasubramanian2025superhard,
     category = {journal},
     title = {Machine Learning Enabled Discovery of Superhard And Ultrahard Carbon Polymorphs},
     author = {Balasubramanian, Karthik and Manna, Sukriti and Banik, Suvo and Srinivasan, Srilok and Batra, Rohit and Sankaranarayanan, Subramanian K. R. S.},
     journal = {Computational Materials Science},
     volume = {246},
     pages = {113506},
     year = {2025},
     doi = {10.1016/j.commatsci.2024.113506},
   }

7. 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

   DOI Bib

   @article{balasubramanian2025bandgap,
     category = {journal},
     title = {Data-Driven Insights into the Characteristics of Wide Bandgap Semiconductors in {2D} Materials},
     author = {Balasubramanian, Karthik and Manna, Sukriti and Sankaranarayanan, Subramanian K. R. S.},
     journal = {Computational Materials Science},
     volume = {246},
     pages = {113476},
     year = {2025},
     doi = {10.1016/j.commatsci.2024.113476},
   }

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 1 more author

   The Journal of Physical Chemistry A(Featured on the cover) , 2024

   Awarded DOI Bib

   Cover Article

   @article{banik2024nickel,
     category = {journal},
     title = {Development of a Machine Learning Potential to Study the Structure and Thermodynamics of Nickel Nanoclusters},
     author = {Banik, Suvo and Dutta, Partha S. and Manna, Sukriti and Sankaranarayanan, Subramanian K. R. S.},
     journal = {The Journal of Physical Chemistry A},
     year = {2024},
     doi = {10.1021/acs.jpca.4c04048},
   }

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, and 4 more authors

   The Journal of Physical Chemistry A, 2024

   DOI Bib

   @article{koneru2024arsenene,
     category = {journal},
     title = {Ab Initio-Based Bond Order Potential for Arsenene Polymorphs Developed via Hierarchical Reinforcement Learning},
     author = {Koneru, Aditya and Muhammad, Adil and Balasubramanian, Karthik and Sasikumar, Kiran and Manna, Sukriti and Chan, Henry and Sankaranarayanan, Subramanian K. R. S.},
     journal = {The Journal of Physical Chemistry A},
     volume = {128},
     number = {28},
     pages = {5752--5761},
     year = {2024},
     doi = {10.1021/acs.jpca.4c01040},
   }

3. J. Chem. Theory Comput.

   Machine Learning Simple Interpretable Short Range Potential for Silica

   Aditya Koneru, Henry Chan, Sukriti Manna, and 3 more authors

   Journal of Chemical Theory and Computation(Featured on the cover) , 2024

   Awarded DOI Bib

   Cover Article

   @article{koneru2024silica,
     category = {journal},
     title = {Machine Learning Simple Interpretable Short Range Potential for Silica},
     author = {Koneru, Aditya and Chan, Henry and Manna, Sukriti and Banik, Suvo and Molinero, Valeria and Sankaranarayanan, Subramanian K. R. S.},
     journal = {Journal of Chemical Theory and Computation},
     volume = {20},
     number = {19},
     pages = {8665--8674},
     year = {2024},
     doi = {10.1021/acs.jctc.4c00639},
   }

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, and 3 more authors

   ACS Applied Materials & Interfaces, 2024

   DOI Bib

   @article{varughese2024transition,
     category = {journal},
     title = {Active and Transfer Learning of High Dimensional Neural Network Potentials for Transition Metals},
     author = {Varughese, Bilvin and Manna, Sukriti and Loeffler, Troy D. and Batra, Rohit and Cherukara, Mathew and Sankaranarayanan, Subramanian K. R. S.},
     journal = {ACS Applied Materials \& Interfaces},
     volume = {16},
     number = {16},
     pages = {20681--20692},
     year = {2024},
     doi = {10.1021/acsami.3c15399},
   }

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, and 2 more authors

   Computational Materials Science, 2024

   DOI Bib

   @article{banik2024elastic,
     category = {journal},
     title = {Machine Learning for Elastic Properties of Materials: A Predictive Benchmarking Study in a Domain-Segmented Feature Space},
     author = {Banik, Suvo and Balasubramanian, Karthik and Manna, Sukriti and Derrible, Sybil and Sankaranarayanan, Subramanian K. R. S.},
     journal = {Computational Materials Science},
     volume = {236},
     pages = {112847},
     year = {2024},
     doi = {10.1016/j.commatsci.2024.112847},
   }

6. Nano Lett.

   Sub-nanometre Scale Doping Heterogeneity of Partially Hydrogenated Vanadium Dioxide

   Alexandre Pofelski, Hui Jia, Sicong Deng, and 7 more authors

   Nano Letters, 2024

   DOI Bib

   @article{pofelski2024vanadium,
     category = {journal},
     title = {Sub-nanometre Scale Doping Heterogeneity of Partially Hydrogenated Vanadium Dioxide},
     author = {Pofelski, Alexandre and Jia, Hui and Deng, Sicong and Yu, Heshan and Park, Tae Joon and Manna, Sukriti and Chan, Maria K. Y. and Sankaranarayanan, Subramanian K. R. S. and Ramanathan, Shriram and Zhu, Yimei},
     journal = {Nano Letters},
     volume = {24},
     number = {6},
     pages = {1974--1980},
     year = {2024},
     doi = {10.1021/acs.nanolett.3c04411},
   }

7. ACS Nano

   Infrared Nanoimaging of Hydrogenated Perovskite Nickelate Memristive Devices

   Sampath Gamage, Sukriti Manna, Marc Zajac, and 13 more authors

   ACS Nano, 2024

   DOI Bib

   @article{gamage2024nickelate,
     category = {journal},
     title = {Infrared Nanoimaging of Hydrogenated Perovskite Nickelate Memristive Devices},
     author = {Gamage, Sampath and Manna, Sukriti and Zajac, Marc and Hancock, Sasha and Wang, Qi and Singh, Saurabh and Ghafari, Mahsa and Yao, Kaichen and Tiwald, Tom and Park, Tae Joon and Landau, David P. and Wen, Haiyan and Sankaranarayanan, Subramanian K. R. S. and Darancet, Pierre and Ramanathan, Shriram and Abate, Yohannes},
     journal = {ACS Nano},
     volume = {18},
     number = {3},
     pages = {2105--2116},
     year = {2024},
     doi = {10.1021/acsnano.3c09281},
   }

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, and 2 more authors

   APL Machine Learning, 2024

   DOI Bib

   @article{balasubramanian2024boron,
     category = {journal},
     title = {Learning the Stable and Metastable Phase Diagram to Accelerate the Discovery of Metastable Phases of Boron},
     author = {Balasubramanian, Karthik and Banik, Suvo and Manna, Sukriti and Srinivasan, Srilok and Sankaranarayanan, Subramanian K. R. S.},
     journal = {APL Machine Learning},
     volume = {2},
     pages = {016103},
     year = {2024},
     doi = {10.1063/5.0175994},
   }

9. Comp. Mater. Sci.

   Understanding Structure-Processing Relationships in Metal Additive Manufacturing via Featurization of Microstructural Images

   Dipayan Sanpui, Ajay Chandra, Sukriti Manna, and 4 more authors

   Computational Materials Science, 2024

   DOI Bib

   @article{sanpui2024am,
     category = {journal},
     title = {Understanding Structure-Processing Relationships in Metal Additive Manufacturing via Featurization of Microstructural Images},
     author = {Sanpui, Dipayan and Chandra, Ajay and Manna, Sukriti and Dutta, Partha S. and Chan, Maria K. Y. and Chan, Henry and Sankaranarayanan, Subramanian K. R. S.},
     journal = {Computational Materials Science},
     volume = {231},
     pages = {112566},
     year = {2024},
     doi = {10.1016/j.commatsci.2023.112566},
   }

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, and 5 more authors

   npj Computational Materials, 2023

   DOI Bib

   @article{banik2023casting,
     category = {journal},
     title = {A Continuous Action Space Tree Search for Inverse Design ({CASTING}) Framework for Materials Discovery},
     author = {Banik, Suvo and Loeffler, Troy D. and Manna, Sukriti and Srinivasan, Srilok and Darancet, Pierre and Chan, Henry and Hexemer, Alexander and Sankaranarayanan, Subramanian K. R. S.},
     journal = {npj Computational Materials},
     volume = {9},
     number = {1},
     pages = {177},
     year = {2023},
     doi = {10.1038/s41524-023-01128-y},
   }

2. Sci. Adv.

   Selective Area Doping for Mott Neuromorphic Electronics

   Sicong Deng, Heshan Yu, Tae Joon Park, and 8 more authors

   Science Advances, 2023

   DOI Bib

   @article{deng2023mott,
     category = {journal},
     title = {Selective Area Doping for {Mott} Neuromorphic Electronics},
     author = {Deng, Sicong and Yu, Heshan and Park, Tae Joon and Islam, ANM Nafiul and Manna, Sukriti and Pofelski, Alexandre and Wang, Qi and Zhu, Yimei and Sankaranarayanan, Subramanian K. R. S. and Sengupta, Abhronil and Ramanathan, Shriram},
     journal = {Science Advances},
     volume = {9},
     number = {11},
     year = {2023},
     doi = {10.1126/sciadv.ade4838},
   }

3. Mater. Manuf. Process.

   Machine-Learning of Piezoelectric Coefficients for Wurtzite Crystals

   Sukriti Manna, Min Wang, Alexandru Barbu, and 1 more author

   Materials and Manufacturing Processes, 2023

   DOI Bib

   @article{manna2023piezoml,
     category = {journal},
     title = {Machine-Learning of Piezoelectric Coefficients for Wurtzite Crystals},
     author = {Manna, Sukriti and Wang, Min and Barbu, Alexandru and Ciobanu, Cristian V.},
     journal = {Materials and Manufacturing Processes},
     volume = {226},
     pages = {112223},
     year = {2023},
     doi = {10.1080/10426914.2023.2219308},
   }

4. Sci. Data

   A Database to Enable the Design and Discovery of Atomically Precise Nanoclusters

   Sukriti Manna, Yunzhe Wang, Alberto Hernandez, and 3 more authors

   Scientific Data, 2023

   DOI Bib

   @article{manna2023qcd,
     category = {journal},
     title = {A Database to Enable the Design and Discovery of Atomically Precise Nanoclusters},
     author = {Manna, Sukriti and Wang, Yunzhe and Hernandez, Alberto and Lile, Peter and Liu, Shuai and Mueller, Tim},
     journal = {Scientific Data},
     volume = {10},
     pages = {308},
     year = {2023},
     doi = {10.1038/s41597-023-02200-4},
   }

5. Comp. Mater. Sci.

   Understanding and Control of Zener Pinning via Phase Field and Ensemble Learning

   Sukriti Manna, Henry Chan, Avishek Ghosh, and 2 more authors

   Computational Materials Science, 2023

   DOI Bib

   @article{manna2023zener,
     category = {journal},
     title = {Understanding and Control of {Zener} Pinning via Phase Field and Ensemble Learning},
     author = {Manna, Sukriti and Chan, Henry and Ghosh, Avishek and Chakrabarti, Tushar and Sankaranarayanan, Subramanian K. R. S.},
     journal = {Computational Materials Science},
     volume = {229},
     pages = {112384},
     year = {2023},
     doi = {10.1016/j.commatsci.2023.112384},
   }

6. npj Comput. Mater.

   Multi-Reward Reinforcement Learning Based Development of Inter-atomic Potential Models for Silica

   Aditya Koneru, Henry Chan, Sukriti Manna, and 3 more authors

   npj Computational Materials, 2023

   DOI Bib

   @article{koneru2023silica_npj,
     category = {journal},
     title = {Multi-Reward Reinforcement Learning Based Development of Inter-atomic Potential Models for Silica},
     author = {Koneru, Aditya and Chan, Henry and Manna, Sukriti and Banik, Suvo and Molinero, Valeria and Sankaranarayanan, Subramanian K. R. S.},
     journal = {npj Computational Materials},
     volume = {9},
     pages = {125},
     year = {2023},
     doi = {10.1038/s41524-023-01074-9},
   }

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

   DOI Bib

   @article{balasubramanian2023elastemp,
     category = {journal},
     title = {{Elastemp}---A Workflow to Compute the Quasi-Harmonic Temperature-Dependent Elastic Constants for Materials},
     author = {Balasubramanian, Karthik and Manna, Sukriti and Sankaranarayanan, Subramanian K. R. S.},
     journal = {Computational Materials Science},
     volume = {226},
     pages = {112223},
     year = {2023},
     doi = {10.1016/j.commatsci.2023.112223},
   }

8. npj Comput. Mater.

   CEGANN: Crystal Edge Graph Attention Neural Network for Multiscale Classification of Materials Environment

   Suvo Banik, Debdas Dhabal, Henry Chan, and 4 more authors

   npj Computational Materials, 2023

   DOI Bib

   @article{banik2023cegann,
     category = {journal},
     title = {{CEGANN}: Crystal Edge Graph Attention Neural Network for Multiscale Classification of Materials Environment},
     author = {Banik, Suvo and Dhabal, Debdas and Chan, Henry and Manna, Sukriti and Cherukara, Mathew and Molinero, Valeria and Sankaranarayanan, Subramanian K. R. S.},
     journal = {npj Computational Materials},
     volume = {9},
     pages = {23},
     year = {2023},
     doi = {10.1038/s41524-023-00975-z},
   }

2022

1. Nat. Commun.

   Learning in Continuous Action Space for Determination of High Dimensional Potential Energy Surfaces

   Sukriti Manna, Troy D. Loeffler, Rohit Batra, and 10 more authors

   Nature Communications(Featured in Nature Communications Collection on Machine Learning for Chemistry) , 2022

   DOI Bib

   @article{manna2022blast,
     category = {journal},
     title = {Learning in Continuous Action Space for Determination of High Dimensional Potential Energy Surfaces},
     author = {Manna, Sukriti and Loeffler, Troy D. and Batra, Rohit and Banik, Suvo and Chan, Henry and Varughese, Bilvin and Sasikumar, Kiran and Sternberg, Michael and Peterka, Tom and Cherukara, Mathew and Gray, Stephen and Sumpter, Bobby G. and Sankaranarayanan, Subramanian K. R. S.},
     journal = {Nature Communications},
     volume = {13},
     number = {1},
     pages = {368},
     year = {2022},
     doi = {10.1038/s41467-021-27849-6},
   }

2. Science

   Reconfigurable Perovskite Electronics for Artificial Intelligence

   Hai-Tian Zhang, Tae Joon Park, ANM Nafiul Islam, and 17 more authors

   Science, 2022

   DOI Bib

   @article{zhang2022perovskite,
     category = {journal},
     title = {Reconfigurable Perovskite Electronics for Artificial Intelligence},
     author = {Zhang, Hai-Tian and Park, Tae Joon and Islam, ANM Nafiul and Tran, Dat S. J. and Manna, Sukriti and Wang, Qi and Mondal, Sukirti and Yu, Heshan and Banik, Suvo and Cheng, Shaobo and Zhou, Hua and Gamage, Sampath and Mahapatra, Soumyabrata and Zhu, Yimei and Abate, Yohannes and Jiang, Nan and Sankaranarayanan, Subramanian K. R. S. and Sengupta, Abhronil and Teuscher, Christof and Ramanathan, Shriram},
     journal = {Science},
     volume = {375},
     number = {6580},
     pages = {533--539},
     year = {2022},
     doi = {10.1126/science.abn6196},
   }

3. Nano Lett.

   Perovskite p-bits for Probabilistic Computing

   Tae Joon Park, Kerem Selçuk, Hai-Tian Zhang, and 7 more authors

   Nano Letters, 2022

   DOI Bib

   @article{park2022pbits,
     category = {journal},
     title = {Perovskite p-bits for Probabilistic Computing},
     author = {Park, Tae Joon and Sel{\c{c}}uk, Kerem and Zhang, Hai-Tian and Manna, Sukriti and Batra, Rohit and Wang, Qi and Yu, Heshan and Sankaranarayanan, Subramanian K. R. S. and Camsari, Kerem Y. and Ramanathan, Shriram},
     journal = {Nano Letters},
     volume = {22},
     number = {21},
     pages = {8654--8661},
     year = {2022},
     doi = {10.1021/acs.nanolett.2c03223},
   }

4. Adv. Mater.

   Complex Oxide Materials, Devices and Networks for Brain-Inspired Computing: A Review

   Tae Joon Park, Sicong Deng, Sukriti Manna, and 8 more authors

   Advanced Materials, 2022

   DOI Bib

   @article{park2022review,
     category = {journal},
     title = {Complex Oxide Materials, Devices and Networks for Brain-Inspired Computing: A Review},
     author = {Park, Tae Joon and Deng, Sicong and Manna, Sukriti and Islam, ANM Nafiul and Yu, Heshan and Yuan, Yongqi and Fong, Dillon D. and Chubykin, Alexander A. and Sengupta, Abhronil and Sankaranarayanan, Subramanian K. R. S. and Ramanathan, Shriram},
     journal = {Advanced Materials},
     volume = {35},
     number = {37},
     pages = {2203352},
     year = {2022},
     doi = {10.1002/adma.202203352},
   }

5. npj Comput. Mater.

   Accelerated Prediction of Atomically Precise Cluster Structures Using On-the-fly Machine Learning

   Yunzhe Wang, Shuai Liu, Peter Lile, and 4 more authors

   npj Computational Materials, 2022

   DOI Bib

   @article{wang2022onthefly,
     category = {journal},
     title = {Accelerated Prediction of Atomically Precise Cluster Structures Using On-the-fly Machine Learning},
     author = {Wang, Yunzhe and Liu, Shuai and Lile, Peter and Norwood, Samuel and Hernandez, Alberto and Manna, Sukriti and Mueller, Tim},
     journal = {npj Computational Materials},
     volume = {8},
     number = {1},
     pages = {1--10},
     year = {2022},
     doi = {10.1038/s41524-022-00856-x},
   }

6. Nat. Commun.

   Machine Learning the Metastable Phase Diagram of Materials

   Srilok Srinivasan, Rohit Batra, Duo Luo, and 8 more authors

   Nature Communications, 2022

   DOI Bib

   @article{srinivasan2022metastable,
     category = {journal},
     title = {Machine Learning the Metastable Phase Diagram of Materials},
     author = {Srinivasan, Srilok and Batra, Rohit and Luo, Duo and Loeffler, Troy D. and Manna, Sukriti and Chan, Henry and Yang, Lei and Yang, Wenge and Wen, Jianguo and Darancet, Pierre and Sankaranarayanan, Subramanian K. R. S.},
     journal = {Nature Communications},
     volume = {13},
     pages = {3251},
     year = {2022},
     doi = {10.1038/s41467-022-30820-8},
   }

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, and 5 more authors

   The Journal of Physical Chemistry Letters(Featured on the cover) , 2022

   Awarded DOI Bib

   Cover Article

   @article{koneru2022phosphorene,
     category = {journal},
     title = {Multi-Reward Reinforcement Learning Based Bond Order Potential to Study Strain-Assisted Phase Transitions in Phosphorene},
     author = {Koneru, Aditya and Batra, Rohit and Manna, Sukriti and Loeffler, Troy D. and Chan, Henry and Singh, Harish and Cherukara, Mathew and Sankaranarayanan, Subramanian K. R. S.},
     journal = {The Journal of Physical Chemistry Letters},
     volume = {13},
     number = {7},
     pages = {1886--1893},
     year = {2022},
     doi = {10.1021/acs.jpclett.1c03551},
   }

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, and 8 more authors

   ACS Applied Materials & Interfaces, 2022

   DOI Bib

   @article{dwivedi2022carbonnitrogen,
     category = {journal},
     title = {Unusual High Hardness and Load-Dependent Mechanical Characteristics of Hydrogenated Carbon-Nitrogen Hybrid Films},
     author = {Dwivedi, Neeraj and Balasubramanian, Karthik and Sahu, Rashmi and Manna, Sukriti and Banik, Suvo and Dhand, Chetna and Kumar, Rajesh and Hashmi, Sajid and Srivastava, Atul K. and Saifullah, Mohammad S. M. and Sankaranarayanan, Subramanian K. R. S.},
     journal = {ACS Applied Materials \& Interfaces},
     volume = {14},
     number = {17},
     pages = {20220--20229},
     year = {2022},
     doi = {10.1021/acsami.2c01508},
   }

2021

1. ACS Nano

   High-Entropy 2D Carbide MXenes: TiVNbMoC3 and TiVCrMoC3

   Sai K. Nemani, Bowen Zhang, Brian C. Wyatt, and 7 more authors

   ACS Nano, 2021

   DOI Bib

   @article{nemani2021mxene,
     category = {journal},
     title = {High-Entropy {2D} Carbide {MXenes}: {TiVNbMoC3} and {TiVCrMoC3}},
     author = {Nemani, Sai K. and Zhang, Bowen and Wyatt, Brian C. and Hood, Zachary D. and Manna, Sukriti and Khaledialidusti, Reza and Hong, Wei and Sternberg, Michael G. and Sankaranarayanan, Subramanian K. R. S. and Anasori, Babak},
     journal = {ACS Nano},
     volume = {15},
     number = {8},
     pages = {12815--12825},
     year = {2021},
     doi = {10.1021/acsnano.1c02775},
   }

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, and 3 more authors

   ChemCatChem(Featured on the cover) , 2020

   Awarded DOI Bib

   Cover Article

   @article{loeffler2020gold,
     category = {journal},
     title = {Active Learning a Neural Network Model for Gold Clusters and Bulk from Sparse First Principles Training Data},
     author = {Loeffler, Troy D. and Manna, Sukriti and Patra, Tarak K. and Chan, Henry and Narayanan, Badri and Sankaranarayanan, Subramanian K. R. S.},
     journal = {ChemCatChem},
     volume = {12},
     number = {19},
     pages = {4796--4806},
     year = {2020},
     doi = {10.1002/cctc.202000774},
   }

2. Nat. Commun.

   Perovskite Neural Trees

   Hai-Tian Zhang, Tae Joon Park, Ivan A. Zaluzhnyy, and 26 more authors

   Nature Communications, 2020

   DOI Bib

   @article{zhang2020perovskiteneural,
     category = {journal},
     title = {Perovskite Neural Trees},
     author = {Zhang, Hai-Tian and Park, Tae Joon and Zaluzhnyy, Ivan A. and Wang, Qi and Wadekar, Suresh Nagnath and Manna, Sukriti and Andrawis, Robert and Sprau, Phillip O. and Sun, Yifei and Zhang, Zhen and Huang, Chongzhao and Zhou, Hua and Zhang, Zhan and Narayanan, Badri and Srinivasan, Ganesh and Hua, Nong and Nazaretski, Evgeny and Huang, Xiaojing and Yan, Hanfei and Ge, Mingyuan and Chu, Yong S. and Cherukara, Mathew J. and Holt, Martin V. and Krishnamurthy, Mohan and Shpyrko, Oleg G. and Sankaranarayanan, Subramanian K. R. S. and Frano, Alex and Roy, Kaushik and Ramanathan, Shriram},
     journal = {Nature Communications},
     volume = {11},
     pages = {2245},
     year = {2020},
     doi = {10.1038/s41467-020-16105-y},
   }

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, and 2 more authors

   Journal of Materials Chemistry A(Journal of Materials Chemistry A HOT Papers collection) , 2018

   DOI Bib

   @article{mckinney2018layered,
     category = {journal},
     title = {Ionic vs. van der Waals Layered Materials: Identification and Comparison of Elastic Anisotropy},
     author = {McKinney, Robert W. and Gorai, Prashun and Manna, Sukriti and Toberer, Eric S. and Stevanovi{\'c}, Vladan},
     journal = {Journal of Materials Chemistry A},
     volume = {6},
     number = {32},
     pages = {15828--15838},
     year = {2018},
     doi = {10.1039/C8TA04933E},
   }

2. Comp. Mater. Sci.

   Effect of Coherent Precipitates on Zener Pinning

   Tushar Chakraborti and Sukriti Manna

   Computational Materials Science, 2018

   DOI Bib

   @article{chakraborti2018zener,
     category = {journal},
     title = {Effect of Coherent Precipitates on {Zener} Pinning},
     author = {Chakraborti, Tushar and Manna, Sukriti},
     journal = {Computational Materials Science},
     volume = {154},
     pages = {84--90},
     year = {2018},
     doi = {10.1016/j.commatsci.2018.07.041},
   }

3. J. Mater. Chem. C

   Large Piezoelectric Response of van der Waals Layered Solids

   Sukriti Manna, Prashun Gorai, Geoff L. Brennecka, and 2 more authors

   Journal of Materials Chemistry C, 2018

   DOI Bib

   @article{manna2018vdwpiezo,
     category = {journal},
     title = {Large Piezoelectric Response of van der Waals Layered Solids},
     author = {Manna, Sukriti and Gorai, Prashun and Brennecka, Geoff L. and Ciobanu, Cristian V. and Stevanovi{\'c}, Vladan},
     journal = {Journal of Materials Chemistry C},
     volume = {6},
     number = {41},
     pages = {11035--11044},
     year = {2018},
     doi = {10.1039/C8TC02560F},
   }

4. IEEE T-UFFC

   Characterization of Elastic Modulus Across the Al(1-x)Sc(x)N System Using DFT and Nanoindentation

   Di Wu, Yang Chen, Sukriti Manna, and 6 more authors

   IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control, 2018

   DOI Bib

   @article{wu2018alscn,
     category = {journal},
     title = {Characterization of Elastic Modulus Across the {Al(1-x)Sc(x)N} System Using {DFT} and Nanoindentation},
     author = {Wu, Di and Chen, Yang and Manna, Sukriti and Talley, Keith R. and Zakutayev, Andriy and Ciobanu, Cristian V. and Constantine, Paul and Brennecka, Geoff L. and Packard, Corinne E.},
     journal = {IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control},
     volume = {65},
     number = {11},
     pages = {2167--2175},
     year = {2018},
     doi = {10.1109/TUFFC.2018.2862240},
   }

5. Phys. Rev. Appl.

   Enhanced Piezoelectric Response of AlN via CrN Alloying

   Sukriti Manna, Keith R. Talley, Prashun Gorai, and 5 more authors

   Physical Review Applied, 2018

   DOI Bib

   @article{manna2018alncrn,
     category = {journal},
     title = {Enhanced Piezoelectric Response of {AlN} via {CrN} Alloying},
     author = {Manna, Sukriti and Talley, Keith R. and Gorai, Prashun and Mangum, John and Zakutayev, Andriy and Brennecka, Geoff L. and Stevanovi{\'c}, Vladan and Ciobanu, Cristian V.},
     journal = {Physical Review Applied},
     volume = {9},
     number = {3},
     pages = {034026--034036},
     year = {2018},
     doi = {10.1103/PhysRevApplied.9.034026},
   }

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, and 6 more authors

   The Journal of Physical Chemistry C, 2018

   DOI Bib

   @article{likith2018molybdenum,
     category = {journal},
     title = {Thermodynamic Stability of Molybdenum Oxycarbides Formed from Orthorhombic {Mo2C} in Oxygen-Rich Environments},
     author = {Likith, Sri Ranga Jai and Farberow, Carrie A. and Manna, Sukriti and Abdulslam, Abdulfattah and Stevanovi{\'c}, Vladan and Ruddy, Daniel A. and Schaidle, Joshua A. and Robichaud, David J. and Ciobanu, Cristian V.},
     journal = {The Journal of Physical Chemistry C},
     volume = {122},
     number = {2},
     pages = {1223--1233},
     year = {2018},
     doi = {10.1021/acs.jpcc.7b11110},
   }

7. J. Am. Ceram. Soc.

   Thermal Regimes of Li-ion Conductivity in β-Eucryptite

   Yang Chen, Sukriti Manna, Cristian V. Ciobanu, and 1 more author

   Journal of the American Ceramic Society, 2018

   DOI Bib

   @article{chen2018eucryptite,
     category = {journal},
     title = {Thermal Regimes of {Li}-ion Conductivity in $\beta$-Eucryptite},
     author = {Chen, Yang and Manna, Sukriti and Ciobanu, Cristian V. and Reimanis, Ivar E.},
     journal = {Journal of the American Ceramic Society},
     volume = {101},
     number = {1},
     pages = {347--355},
     year = {2018},
     doi = {10.1111/jace.15173},
   }

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

   DOI Bib

   @article{chakrabarti2017rayleigh,
     category = {journal},
     title = {Grain Boundary Driven {Plateau--Rayleigh} Instability in Multilayer Nanocrystalline Thin Film: A Phase-Field Study},
     author = {Chakrabarti, Tushar and Verma, Neha and Manna, Sukriti},
     journal = {Materials \& Design},
     volume = {119},
     pages = {425--436},
     year = {2017},
     doi = {10.1016/j.matdes.2017.01.085},
   }

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 1 more author

   Journal of Applied Physics(Editor’s Pick; featured in AIP Scilight) , 2017

   Awarded DOI Bib

   Editor’s Pick

   @article{manna2017aln,
     category = {journal},
     title = {Tuning the Piezoelectric and Mechanical Properties of the {AlN} System via Alloying with {YN} and {BN}},
     author = {Manna, Sukriti and Brennecka, Geoff L. and Stevanovi{\'c}, Vladan and Ciobanu, Cristian V.},
     journal = {Journal of Applied Physics},
     volume = {122},
     number = {10},
     pages = {105101--105108},
     year = {2017},
     doi = {10.1063/1.4993254},
   }

2016

1. Scr. Mater.

   Pressure Induced Phase Transformation in β-Eucryptite: An X-ray Diffraction and Density Functional Theory Study

   Yang Chen, Sukriti Manna, Badri Narayanan, and 3 more authors

   Scripta Materialia, 2016

   DOI Bib

   @article{chen2016eucryptite,
     category = {journal},
     title = {Pressure Induced Phase Transformation in $\beta$-Eucryptite: An {X}-ray Diffraction and Density Functional Theory Study},
     author = {Chen, Yang and Manna, Sukriti and Narayanan, Badri and Wang, Zhao and Reimanis, Ivar E. and Ciobanu, Cristian V.},
     journal = {Scripta Materialia},
     volume = {122},
     pages = {64--67},
     year = {2016},
     doi = {10.1016/j.scriptamat.2016.05.005},
   }

2. JMSCE

   Comparative Studies on Synthesis and Characterization of Titania and Iron Oxide Doped Magnesia from Indian Salem Magnesite

   Sukriti Manna and Tushar Chakraborti

   Journal of Materials Science and Chemical Engineering, 2016

   DOI Bib

   @article{manna2016magnesite,
     category = {journal},
     title = {Comparative Studies on Synthesis and Characterization of Titania and Iron Oxide Doped Magnesia from Indian {Salem} Magnesite},
     author = {Manna, Sukriti and Chakraborti, Tushar},
     journal = {Journal of Materials Science and Chemical Engineering},
     volume = {4},
     number = {7},
     pages = {67--76},
     year = {2016},
     doi = {10.4236/msce.2016.47010},
   }