Pankaj Rajak

Publication Activity (10 Years)

Years Active: 2016-2023
Publications (10 Years): 10

Top Topics

High Performance Computing

Scientific Data

Generative Model

Top Venues

IPDPS Workshops

SpringSim (HPS)

Publications

Lingjie Kong, Pankaj Rajak, Siamak Shakeri
Generative Models for 3D Point Clouds. CoRR (2023)
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) (2021)
Edwin Pan, Pankaj Rajak, Shubham Shrivastava
Meta-Regularization by Enforcing Mutual-Exclusiveness. CoRR (2021)
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)
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 (2020)
Pankaj Rajak, Aravind Krishnamoorthy, Ankit Mishra, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta
Predictive Synthesis of Quantum Materials by Probabilistic Reinforcement Learning. CoRR (2020)
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)
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)
Fuyuki Shimojo, Shogo Fukushima, Hiroyuki Kumazoe, Masaaki Misawa, Satoshi Ohmura, Pankaj Rajak, Kohei Shimamura, Lindsay Bassman, Subodh Tiwari, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta
QXMD: An open-source program for nonadiabatic quantum molecular dynamics. SoftwareX 10 (2019)
Ho Ching Cheng, Pankaj Rajak, Chunyang Sheng, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta
training of reactive molecular-dynamics force fields. SpringSim (HPS) (2016)