Doping effect on photoabsorption and charge-separation dynamics in light-harvesting organic molecule

by Satoshi Ohmura, Kenji Tsuruta, Fuyuki Shimojo, Aiichiro Nakano
Published 2016-01-01

Nanoindentation on Monolayer MoS2 Kirigami

by Beibei Wang, Aiichiro Nakano, Priya D. Vashishta, Rajiv K. Kalia
Published 2019-06-01

Lattice thermal transport in two-dimensional alloys and fractal heterostructures

by Aravind Krishnamoorthy, Nitish Baradwaj, Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta
Published 2021-01-01

Adaptive Kinetic Architecture and Collective Behavior: A Dynamic Analysis for Emergency Evacuation

by Angella Johnson, Size Zheng, Aiichiro Nakano, Goetz Schierle, Joon-Ho Choi
Published 2019-02-01

Autonomous reinforcement learning agent for chemical vapor deposition synthesis of quantum materials

by Pankaj Rajak, Aravind Krishnamoorthy, Ankit Mishra, Rajiv Kalia, Aiichiro Nakano, Priya Vashishta
Published 2021-07-01

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

by Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, Pankaj Rajak, Priya Vashishta
Published 2020-01-01

Autonomous reinforcement learning agent for stretchable kirigami design of 2D materials

by Pankaj Rajak, Beibei Wang, Ken-ichi Nomura, Ye Luo, Aiichiro Nakano, Rajiv Kalia, Priya Vashishta
Published 2021-07-01

Effects of solvation shells and cluster size on the reaction of aluminum clusters with water

by Weiwei Mou, Satoshi Ohmura, Anne Hemeryck, Fuyuki Shimojo, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta
Published 2011-12-01

Effects of chemical defects on anisotropic dielectric response of polyethylene

by Shogo Fukushima, Subodh Tiwari, Hiroyuki Kumazoe, Rajiv K. Kalia, Aiichiro Nakano, Fuyuki Shimojo, Priya Vashishta
Published 2019-04-01

Thermal conductivity of MoS2 monolayers from molecular dynamics simulations

by Aravind Krishnamoorthy, Pankaj Rajak, Payam Norouzzadeh, David J. Singh, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta
Published 2019-03-01

Scalable Atomistic Simulation Algorithms for Materials Research

by Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta, Timothy J. Campbell, Shuji Ogata, Fuyuki Shimojo, Subhash Saini
Published 2002-01-01

PND: Physics-informed neural-network software for molecular dynamics applications

by Taufeq Mohammed Razakh, Beibei Wang, Shane Jackson, Rajiv K. Kalia, Aiichiro Nakano, Ken-ichi Nomura, Priya Vashishta
Published 2021-07-01

MISTIQS: An open-source software for performing quantum dynamics simulations on quantum computers

by Connor Powers, Lindsay Bassman, Thomas M. Linker, Ken-ichi Nomura, Sahil Gulania, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta
Published 2021-06-01

Game-Engine-Assisted Research platform for Scientific computing (GEARS) in Virtual Reality

by Brandon K. Horton, Rajiv K. Kalia, Erick Moen, Aiichiro Nakano, Ken-ichi Nomura, Michael Qian, Priya Vashishta, Anders Hafreager
Published 2019-01-01

EZFF: Python library for multi-objective parameterization and uncertainty quantification of interatomic forcefields for molecular dynamics

by Aravind Krishnamoorthy, Ankit Mishra, Deepak Kamal, Sungwook Hong, Ken-ichi Nomura, Subodh Tiwari, Aiichiro Nakano, Rajiv Kalia, Rampi Ramprasad, Priya Vashishta
Published 2021-01-01

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

by 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
Published 2019-07-01

Ultrafast non-radiative dynamics of atomically thin MoSe2

by Ming-Fu Lin, Vidya Kochat, Aravind Krishnamoorthy, Lindsay Bassman, Clemens Weninger, Qiang Zheng, Xiang Zhang, Amey Apte, Chandra Sekhar Tiwary, Xiaozhe Shen, Renkai Li, Rajiv Kalia, Pulickel Ajayan, Aiichiro Nakano, Priya Vashishta, Fuyuki Shimojo, Xijie Wang, David M. Fritz, Uwe Bergmann
Published 2017-11-01

Carrier-specific dynamics in 2H-MoTe2 observed by femtosecond soft x-ray absorption spectroscopy using an x-ray free-electron laser

by Alexander Britz, Andrew R. Attar, Xiang Zhang, Hung-Tzu Chang, Clara Nyby, Aravind Krishnamoorthy, Sang Han Park, Soonnam Kwon, Minseok Kim, Dennis Nordlund, Sami Sainio, Tony F. Heinz, Stephen R. Leone, Aaron M. Lindenberg, Aiichiro Nakano, Pulickel Ajayan, Priya Vashishta, David Fritz, Ming-Fu Lin, Uwe Bergmann
Published 2021-01-01

A Distributed Quadtree Dictionary Approach to Multi-Resolution Visualization of Scattered Neutron Data

by Dooley, Rion
Published 2004

Techniques and Algorithms for Immersive and Interactive Visualization of Large Datasets

by Sharma, Ashish
Published 2002