SCHOLARS@TAMU

Puthirath, A. B., Zhang, X., Krishnamoorthy, A., Xu, R., Samghabadi, F. S., Moore, D. C., ... Ajayan, P. M. (2022). Piezoelectricity across 2D Phase Boundaries.. Adv Mater. 34(39), e2206425-2206425.

Linker, T., Fukushima, S., Kalia, R. K., Krishnamoorthy, A., Nakano, A., Nomura, K., ... Vashishta, P. (2022). Towards computational polar-topotronics: Multiscale neural-network quantum molecular dynamics simulations of polar vortex states in SrTiO3/PbTiO3 nanowires. Frontiers in Nanotechnology. 4, 884149.

Linker, T., Nomura, K., Aditya, A., Fukshima, S., Kalia, R. K., Krishnamoorthy, A., ... Vashishta, P. (2022). Exploring far-from-equilibrium ultrafast polarization control in ferroelectric oxides with excited-state neural network quantum molecular dynamics.. Sci Adv. 8(12), eabk2625.

Krishnamoorthy, A., Nomura, K., Baradwaj, N., Shimamura, K., Ma, R., Fukushima, S., ... Vashishta, P. (2022). Hydrogen Bonding in Liquid Ammonia.. J Phys Chem Lett. 13(30), 7051-7057.

Sassi, L. M., Krishnamoorthy, A., Hachtel, J. A., Susarla, S., Apte, A., Castro-Pardo, S., ... Ajayan, P. M. (2022). Low temperature CVD growth of WSe2 enabled by moisture-assisted defects in the precursor powder. 2D MATERIALS. 9(4), 045026-045026.

Rajak, P., Liu, K., Krishnamoorthy, A., Kalia, R. K., Nakano, A., Nomura, K., Tiwari, S. C., & Vashishta, P. (2020). Neural Network Molecular Dynamics at Scale. 2020 IEEE 34TH INTERNATIONAL PARALLEL AND DISTRIBUTED PROCESSING SYMPOSIUM WORKSHOPS (IPDPSW 2020), 2020 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW). 00, 991-994.

Tiwari, S. C., Krishnamoorthy, A., Rajak, P., Sakdhnagool, P., Kunaseth, M., Shimojo, F., ... Vashishta, P. (2020). Quantum Dynamics at Scale: Ultrafast Control of Emergent Functional Materials. PROCEEDINGS OF INTERNATIONAL CONFERENCE ON HIGH PERFORMANCE COMPUTING IN ASIA-PACIFIC REGION (HPC ASIA 2020), Proceedings of the International Conference on High Performance Computing in Asia-Pacific Region. 1-10.

Kumazoe, H., Krishnamoorthy, A., Bassman, L., Kalia, R. K., Nakano, A., Shimojo, F., & Vashishta, P. (2018). Photoinduced dynamics of transition metal dichalcogenides by non-adiabatic first-principles molecular dynamics. Abstracts of Lectures of the Physical Society of Japan. 73.2, 1970-1970.

Liu, K., Tiwari, S., Sheng, C., Krishnamoorthy, A., Hong, S., Rajak, P., ... Shimojo, F. (2018). Shift-Collapse Acceleration of Generalized Polarizable Reactive Molecular Dynamics for Machine Learning-Assisted Computational Synthesis of Layered Materials. SCALA 2018: PROCEEDINGS OF 2018 IEEE/ACM 9TH WORKSHOP ON LATEST ADVANCES IN SCALABLE ALGORITHMS FOR LARGE-SCALE SYSTEMS (SCALA), 2018 IEEE/ACM 9th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (scalA). 00, 41-48.

Krishnamoorthy, A., Mishra, A., Kamal, D., Hong, S., Nomura, K., Tiwari, S., ... Vashishta, P. (2020). EZFF: Python Library for Multi-Objective Parameterization and Uncertainty Quantification of Interatomic Forcefields for Molecular Dynamics.

Krishnamoorthy, A., Baradwaj, N., Nakano, A., Kalia, R. K., & Vashishta, P. (2020). Lattice Thermal Transport in Two-Dimensional Alloys and Fractal Heterostructures.

Rajak, P., Krishnamoorthy, A., Mishra, A., Kalia, R. K., Nakano, A., & Vashishta, P. (2020). Predictive Synthesis of Quantum Materials by Probabilistic Reinforcement Learning.