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ORCIDPankaj Rajak
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2020 – today
- 2023
[i3]Lingjie Kong, Pankaj Rajak, Siamak Shakeri:
Generative Models for 3D Point Clouds. CoRR abs/2302.13408 (2023)- 2021
- [j3]Antonina L. Nazarova
, Liqiu Yang, Kuang Liu, Ankit Mishra, Rajiv K. Kalia, Ken-ichi Nomura, Aiichiro Nakano, Priya Vashishta, Pankaj Rajak:
Dielectric Polymer Property Prediction Using Recurrent Neural Networks with Optimizations. J. Chem. Inf. Model. 61(5): 2175-2186 (2021) - [c4]Pankaj Rajak, Anikeya Aditya, Shogo Fukushima, Rajiv K. Kalia, Thomas Linker, Kuang Liu, Ye Luo, Aiichiro Nakano, Ken-ichi Nomura, Kohei Shimamura, Fuyuki Shimojo, Priya Vashishta:
Ex-NNQMD: Extreme-Scale Neural Network Quantum Molecular Dynamics. IPDPS Workshops 2021: 943-946 - [i2]Edwin Pan, Pankaj Rajak, Shubham Shrivastava:
Meta-Regularization by Enforcing Mutual-Exclusiveness. CoRR abs/2101.09819 (2021) - 2020
- [j2]Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, Pankaj Rajak, Priya Vashishta:
RXMD: A scalable reactive molecular dynamics simulator for optimized time-to-solution. SoftwareX 11: 100389 (2020) - [c3]Subodh C. Tiwari, Aravind Krishnamoorthy, Pankaj Rajak, Putt Sakdhnagool, Manaschai Kunaseth, Fuyuki Shimojo, Shogo Fukushima, Aiichiro Nakano, Ye Luo, Rajiv K. Kalia, Ken-ichi Nomura, Priya Vashishta:
Quantum Dynamics at Scale: Ultrafast Control of Emergent Functional Materials. HPC Asia 2020: 1-10 - [c2]Pankaj Rajak, Kuang Liu, Aravind Krishnamoorthy, Rajiv K. Kalia, Aiichiro Nakano, Ken-ichi Nomura, Subodh C. Tiwari, Priya Vashishta:
Neural Network Molecular Dynamics at Scale. IPDPS Workshops 2020: 991-994 - [i1]Pankaj Rajak, Aravind Krishnamoorthy, Ankit Mishra, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta:
Predictive Synthesis of Quantum Materials by Probabilistic Reinforcement Learning. CoRR abs/2009.06739 (2020)
2010 – 2019
- 2019
- [j1]Fuyuki Shimojo, Shogo Fukushima, Hiroyuki Kumazoe, Masaaki Misawa, Satoshi Ohmura, Pankaj Rajak, Kohei Shimamura, Lindsay Bassman Oftelie, Subodh Tiwari, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta:
QXMD: An open-source program for nonadiabatic quantum molecular dynamics. SoftwareX 10: 100307 (2019) - 2016
- [c1]Ho Ching Cheng, Pankaj Rajak, Chunyang Sheng, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta:
A high-throughput multiobjective genetic-algorithm workflow for in situ training of reactive molecular-dynamics force fields. SpringSim (HPS) 2016: 2
Coauthor Index
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