Pankaj Rajak

According to our database, Pankaj Rajak authored at least 10 papers between 2016 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of five.

2023

Generative Models for 3D Point Clouds.

Lingjie Kong, Pankaj Rajak, Siamak Shakeri

CoRR, 2023

2021

Dielectric Polymer Property Prediction Using Recurrent Neural Networks with Optimizations.

Antonina L. Nazarova, Liqiu Yang, Kuang Liu, Ankit Mishra, Rajiv K. Kalia, Ken-ichi Nomura, Aiichiro Nakano, Priya Vashishta, Pankaj Rajak

J. Chem. Inf. Model., 2021

Meta-Regularization by Enforcing Mutual-Exclusiveness.

Edwin Pan, Pankaj Rajak, Shubham Shrivastava

CoRR, 2021

Ex-NNQMD: Extreme-Scale Neural Network Quantum Molecular Dynamics.

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

Proceedings of the IEEE International Parallel and Distributed Processing Symposium Workshops, 2021

2020

RXMD: A scalable reactive molecular dynamics simulator for optimized time-to-solution.

Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, Pankaj Rajak, Priya Vashishta

SoftwareX, 2020

Predictive Synthesis of Quantum Materials by Probabilistic Reinforcement Learning.

Pankaj Rajak, Aravind Krishnamoorthy, Ankit Mishra, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta

CoRR, 2020

Neural Network Molecular Dynamics at Scale.

Pankaj Rajak, Kuang Liu, Aravind Krishnamoorthy, Rajiv K. Kalia, Aiichiro Nakano, Ken-ichi Nomura, Subodh C. Tiwari, Priya Vashishta

Proceedings of the 2020 IEEE International Parallel and Distributed Processing Symposium Workshops, 2020

Quantum Dynamics at Scale: Ultrafast Control of Emergent Functional Materials.

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

Proceedings of the International Conference on High Performance Computing in Asia-Pacific Region, 2020

2019

QXMD: An open-source program for nonadiabatic quantum molecular dynamics.

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

SoftwareX, 2019

2016

A high-throughput multiobjective genetic-algorithm workflow for <i>in situ</i> training of reactive molecular-dynamics force fields.

Ho Ching Cheng, Pankaj Rajak, Chunyang Sheng, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta

Proceedings of the 24th High Performance Computing Symposium, 2016