Electrostrictive Cavitation in Water Induced by a SnO2 Nanoparticle by Shane Jackson, Aiichiro Nakano, Priya Vashishta, Rajiv K. Kalia

Get full text

Lattice thermal transport in two-dimensional alloys and fractal heterostructures by Aravind Krishnamoorthy, Nitish Baradwaj, Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta

Get full text

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

Get full text

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

Get full text

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

Get full text

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

Get full text

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

Get full text

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

Get full text

Defect-free and crystallinity-preserving ductile deformation in semiconducting Ag2S by Masaaki Misawa, Hinata Hokyo, Shogo Fukushima, Kohei Shimamura, Akihide Koura, Fuyuki Shimojo, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta

Get full text

Towards computational polar-topotronics: Multiscale neural-network quantum molecular dynamics simulations of polar vortex states in SrTiO3/PbTiO3 nanowires by Thomas Linker, Shogo Fukushima, Rajiv K. Kalia, Aravind Krishnamoorthy, Aiichiro Nakano, Ken-ichi Nomura, Kohei Shimamura, Fuyuki Shimojo, Priya Vashishta

Get full text

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

Get full text

Review of strategies toward the development of alloy two-dimensional (2D) transition metal dichalcogenides by Appu Kumar Singh, Partha Kumbhakar, Aravind Krishnamoorthy, Aiichiro Nakano, Kishor Kumar Sadasivuni, Priya Vashishta, Ajit K. Roy, Vidya Kochat, Chandra Sekhar Tiwary

Get full text

Probing phonon focusing, thermomechanical behavior, and moiré patterns in van der Waals architectures using surface acoustic waves by Nitish Baradwaj, Anikeya Aditya, Ankit Mishra, Kory Burns, Eric Lang, Jordan A. Hachtel, Khalid Hattar, Assel Aitkaliyeva, Aiichiro Nakano, Priya Vashishta, Rajiv Kalia

Get full text

Author Correction: Active learning for accelerated design of layered materials by Lindsay Bassman Oftelie, Pankaj Rajak, Rajiv K. Kalia, Aiichiro Nakano, Fei Sha, Jifeng Sun, David J. Singh, Muratahan Aykol, Patrick Huck, Kristin Persson, Priya Vashishta

Get full text

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

Get full text

Ultrafast non-radiative dynamics of atomically thin MoSe2 by Ming-Fu Lin, Vidya Kochat, Aravind Krishnamoorthy, Lindsay Bassman Oftelie, 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

Get full text

Author Correction: Ultrafast non-radiative dynamics of atomically thin MoSe2 by Ming-Fu Lin, Vidya Kochat, Aravind Krishnamoorthy, Lindsay Bassman Oftelie, 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

Get full text

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

Get full text