Subramanian Sankaranarayanan, PhD

Research Interests:

• Machine learning to bridge the electronic, atomistic and mesoscopic scales.
• Integrate atomistic (and continuum) simulations with ultrafast X-ray imaging.
• Inverse design for materials discovery and machine learning to predict metastable phase diagrams.
• Applications of interest include tribology, corrosion, neuromorphic computing, energy storage and thermal management.

1. TK Patra, F Zhang, DS Schulman, H Chan, MJ Cherukara, M Terrones, S. Das, S. K. R. S. Sankaranarayanan. “Defect Dynamics in 2-D MoS2 Probed by Using Machine Learning, Atomistic Simulations, and High-Resolution Microscopy” ACS Nano 12 (8), 8006-8016 (2018).
2. Zhen Zhang, Derek Schwanz, Badri Narayanan, Michele Kotiuga, Joseph A Dura, Mathew Cherukara, Hua Zhou, John W. Freeland, Jiarui Li, Ronny Sutarto, Feizhou He, Chongzhao Wu, Jiaxin Zhu, Yifei Sun, Koushik Ramadoss, Stephen S. Nonnenmann, Nanfang Yu, Riccardo Comin, Karin M. Rabe, Subramanian K. R. S. Sankaranarayanan, Shriram Ramanathan. “Perovskite Nickelates as Electric Field Sensors in Salt Water.” Nature, 553, 68 (2018).
3. Henry Chan, Mathew Cherukara, Badri Narayanan, Chris Benmore, Troy Loeffler, Stephen Gray, Subramanian KRS Sankaranarayanan. “Machine learning coarse grained models for water”. Nature Communications, (Accepted).
4. Henry Chan, Badri Narayanan, Mathew Cherukara, Fatih Sen, Kiran Sasikumar, Stephen Gray, Maria Chan, Subramanian KRS Sankaranarayanan. “Machine learning classical interatomic potentials for molecular dynamics from first-principles training data”. Journal of Physical Chemistry C (Invited Feature Article) – Accepted. 
5. Hao-Cheng Yang, Yunsong Xie, Henry Chan, Badri Narayanan, Lin Chen, Ruben Z Waldman, Subramanian KRS Sankaranarayanan, Jeffrey W Elam, Seth B Darling “Crude-Oil-Repellent Membranes by Atomic Layer Deposition: Oxide Interface Engineering.” ACS Nano, 2018, 12 (8), pp 8678–8685.
6. Kiran Sasikumar, Henry Chan, Badri Narayanan, Subramanian KRS Sankaranarayanan. “Machine learning a variable charge model for Cu/Hf binary oxide heterostructures”. Chemistry of Materials, (Accepted).
7. Dongjin Kim, Myungwoo Chung, Jerome Carnis, Sungwon Kim, Kyuseok Yun, Jinback Kang, Wonsuk Cha, Mathew J Cherukara, Evan Maxey, Ross Harder, Kiran Sasikumar, Subramanian KRS Sankaranarayanan, Alexey Zozulya, Michael Sprung, Dohhyung Riu, Hyunjung Kim. “Active site localization of methane oxidation on Pt nanocrystals.” Nature Communications 9, Article number: 3422 (2018).
8. Yifei Sun, Michele Kotiuga, Dawgen Lim, Badri Narayanan, Mathew Cherukara, Zhen Zhang, Yongqi Dong, Ronghui Kou, Cheng-Jun Sun, Qiyang Lu, Iradwikanari Waluyo, Adrian Hunt, Hidekazu Tanaka, Azusa N Hattori, Sampath Gamage, Yohannes Abate, Vilas G Pol, Hua Zhou, Subramanian KRS Sankaranarayanan, Bilge Yildiz, Karin M Rabe, Shriram Ramanathan. “Strongly correlated perovskite lithium ion shuttles.” Proceedings of National Academy of Sciences. August 13, 2018. https://doi.org/10.1073/pnas.1805029115 
9. Huajun Liu, Yongqi Dong, Mathew J Cherukara, Kiran Sasikumar, Badri Narayanan, Zhonghou Cai, Barry Lai, Liliana Stan, Seungbum Hong, Maria KY Chan, Subramanian KRS Sankaranarayanan, Hua Zhou, Dillon D Fong. “Quantitative Observation of Threshold Defect Behavior in Memristive Devices with Operando X-ray Microscopy.” ACS Nano, 12 (5), pp 4938–4945 (2018).
10. Diana Berman, Badri Narayanan, Mathew J Cherukara, Subramanian KRS Sankaranarayanan, Ali Erdemir, Alexander Zinovev, Anirudha V Sumant. “Operando tribochemical formation of onion-like-carbon leads to macroscale superlubricity.” Nature communications 9 (1), 1164 (2018).

Ph.D., Chemical Engineering
University of South Florida, 2007

M.S., Chemical Engineering,
Indian Institute of Science, India, 2002

B. Tech., Chemical Engineering,
Laxminarayan Institute of Technology, India, 2000