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45 results for Kalia,+Rajiv+K.

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Select record 41
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Towards Dynamic Simulations of Materials on Quantum Computers
Author / Creator:Bassman, Lindsay ; Liu, Kuang ; Krishnamoorthy, Aravind ; Linker, Thomas ; Geng, Yifan ; Shebib, Daniel ; Fukushima, Shogo ; Shimojo, Fuyuki ; Kalia, Rajiv K ; Nakano, Aiichiro ; Vashishta, Priya
Publisher:Ithaca: Cornell University Library, arXiv.org
Journal title:arXiv.org, 2020-04
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ArticlesPeer ReviewedFull Text
Dewetting of monolayer water and isopropanol between MoS2 nanosheets
Author / Creator:Wang, Beibei ; Kalia, Rajiv K. ; Nakano, Aiichiro ; Vashishta, Priya D.
Publisher:United Kingdom: Nature Publishing Group
Journal title:Scientific reports, 2018-11, Vol.8 (1)
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AI-driven quantification of ground glass opacities in lungs of COVID-19 patients using 3D computed tomography imaging AI-driven quantification of ground glass opacities in lungs of COVID-19 patients u...
Author / Creator:Monjoy Saha ; Sagar B. Amin ; Ashish Sharma ; T. K. Satish Kumar ; Rajiv K. Kalia
Publisher:Public Library of Science (PLoS)
Journal title:PloS one, 2022-01, Vol.17 (3)
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ArticlesPeer ReviewedFull Text
Rapid and reversible lithiation of doped biogenous iron oxide nanoparticles
Author / Creator:Misawa, Masaaki ; Hashimoto, Hideki ; Kalia, Rajiv K. ; Matsumoto, Syuji ; Nakano, Aiichiro ; Shimojo, Fuyuki ; Takada, Jun ; Tiwari, Subodh ; Tsuruta, Kenji ; Vashishta, Priya
Publisher:United Kingdom: Nature Publishing Group
Journal title:Scientific reports, 2019-02, Vol.9 (1)
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Select record 45
ArticlesPeer ReviewedFull Text
Dewetting of monolayer water and isopropanol between MoS 2 nanosheets
Author / Creator:Wang, Beibei ; Kalia, Rajiv K ; Nakano, Aiichiro ; Vashishta, Priya D
Publisher:England
Journal title:Scientific reports, 2018-11, Vol.8 (1), p.16704
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Select record 46
ArticlesPeer ReviewedFull Text
Molecular Simulation of MoS 2 Exfoliation
Author / Creator:Zhou, Guoqing ; Rajak, Pankaj ; Susarla, Sandhya ; Ajayan, Pulickel M ; Kalia, Rajiv K ; Nakano, Aiichiro ; Vashishta, Priya
Publisher:England
Journal title:Scientific reports, 2018-11, Vol.8 (1), p.16761
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Select record 47
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Lattice Thermal Transport in Two-Dimensional Alloys and Fractal Heterostructures
Author / Creator:Krishnamoorthy, Aravind ; Baradwaj, Nitish ; Nakano, Aiichiro ; Kalia, Rajiv K ; Vashishta, Priya
Publisher:Ithaca: Cornell University Library, arXiv.org
Journal title:arXiv.org, 2020-09
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Generative AI-driven forecasting of oil production
Author / Creator:Gandhi, Yash ; Zheng, Kexin ; Jha, Birendra ; Nomura, Ken-ichi ; Nakano, Aiichiro ; Vashishta, Priya ; Kalia, Rajiv K
Publisher:Ithaca: Cornell University Library, arXiv.org
Journal title:arXiv.org, 2024-09
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Select record 49
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MISTIQS: An open-source software for performing quantum dynamics simulations on quantum computers
Author / Creator:Powers, Connor ; Bassman, Lindsay ; Linker, Thomas ; Nomura, Ken-ichi ; Gulania, Sahil ; Kalia, Rajiv K ; Nakano, Aiichiro ; Vashishta, Priya
Publisher:Ithaca: Cornell University Library, arXiv.org
Journal title:arXiv.org, 2021-01
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Molecular Autonomous Pathfinder using Deep Reinforcement Learning
Author / Creator:Nomura, Ken-ichi ; Mishra, Ankit ; Tian Sang ; Kalia, Rajiv K ; Nakano, Aiichiro ; Vashishta, Priya
Publisher:Ithaca: Cornell University Library, arXiv.org
Journal title:arXiv.org, 2023-12
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Select record 51
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Pressure-Dependent Layer-by-Layer Oxidation of ZrS2(001) Surface
Author / Creator:Yang, Liqiu ; Jaramillo, Rafael ; Kalia, Rajiv K ; Nakano, Aiichiro ; Vashishta, Priya
Publisher:Ithaca: Cornell University Library, arXiv.org
Journal title:arXiv.org, 2023-03
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Select record 52
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Domain-Specific Compilers for Dynamic Simulations of Quantum Materials on Quantum Computers
Author / Creator:Bassman, Lindsay ; Gulania, Sahil ; Powers, Connor ; Li, Rongpeng ; Linker, Thomas ; Liu, Kuang ; Satish Kumar, T K ; Kalia, Rajiv K ; Nakano, Aiichiro ; Vashishta, Priya
Publisher:Ithaca: Cornell University Library, arXiv.org
Journal title:arXiv.org, 2020-04
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Select record 53
ArticlesFull Text
Multiscale Graph Neural Networks for Protein Residue Contact Map Prediction
Author / Creator:Liu, Kuang ; Kalia, Rajiv K ; Liu, Xinlian ; Nakano, Aiichiro ; Nomura, Ken-ichi ; Vashishta, Priya ; Zamora-Resendizc, Rafael
Publisher:Ithaca: Cornell University Library, arXiv.org
Journal title:arXiv.org, 2022-12
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ArticlesPeer ReviewedFull Text
Hierarchical petascale simulation framework for stress corrosion cracking
Author / Creator:Vashishta, P ; Kalia, R K ; Nakano, A ; Kaxiras, E ; Grama, A ; Lu, G ; Eidenbenz, S ; Voter, A F ; Hood, R Q ; Moriarty, J A ; Yang, L H
Publisher:Bristol: IOP Publishing
Journal title:Journal of physics. Conference series, 2008-07, Vol.125 (1), p.012060
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Select record 55
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Allegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum Molecular Dynamics via Sharpness-Aware Minimization
Author / Creator:Ibayashi, Hikaru ; Taufeq Mohammed Razakh ; Yang, Liqiu ; Linker, Thomas ; Olguin, Marco ; Hattori, Shinnosuke ; Luo, Ye ; Kalia, Rajiv K ; Nakano, Aiichiro ; Nomura, Ken-ichi ; Vashishta, Priya
Publisher:Ithaca: Cornell University Library, arXiv.org
Journal title:arXiv.org, 2023-03
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Select record 56
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Predictive Synthesis of Quantum Materials by Probabilistic Reinforcement Learning
Author / Creator:Rajak, Pankaj ; Krishnamoorthy, Aravind ; Mishra, Ankit ; Kalia, Rajiv K ; Nakano, Aiichiro ; Vashishta, Priya
Publisher:Ithaca: Cornell University Library, arXiv.org
Journal title:arXiv.org, 2020-09
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Select record 57
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Physics-informed Neural-Network Software for Molecular Dynamics Applications
Author / Creator:Taufeq Mohammed Razakh ; Wang, Beibei ; Jackson, Shane ; Kalia, Rajiv K ; Nakano, Aiichiro ; Nomura, Ken-ichi ; Vashishta, Priya
Publisher:Ithaca: Cornell University Library, arXiv.org
Journal title:arXiv.org, 2020-11
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Select record 58
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Anisotropic structural dynamics of monolayer crystals revealed by femtosecond surface x-ray scattering
Author / Creator:I-Cheng, Tung ; Krishnamoorthy, Aravind ; Sadasivam, Sridhar ; Zhou, Hua ; Zhang, Qi ; Seyler, Kyle L ; Clark, Genevieve ; Mannebach, Ehren M ; Nyby, Clara ; Ernst, Friederike ; Zhu, Diling ; Glownia, James M ; Kozina, Michael E ; Song, Sanghoon ; Nelson, Silke ; Kumazoe, Hiroyuki ; Shimojo, Fuyuki ; Kalia, Rajiv K ; Vashishta, Priya ; Darancet, Pierre ; Heinz, Tony F ; Nakano, Aiichiro ; Xu, Xiaodong ; Lindenberg, Aaron M ; Wen, Haidan
Publisher:Ithaca: Cornell University Library, arXiv.org
Journal title:arXiv.org, 2018-11
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Select record 59
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Computational framework for polymer synthesis to study dielectric properties using polarizable reactive molecular dynamics
Author / Creator:Mishra, Ankit ; Chen, Lihua ; Li, ZongZe ; Nomura, Ken-ichi ; Krishnamoorthy, Aravind ; Fukushima, Shogo ; Tiwari, Subodh C ; Kalia, Rajiv K ; Nakano, Aiichiro ; Rampi Ramprasad ; Sotzing, Greg ; Cao, Yang ; Shimojo, Fuyuki ; Vashishta, Priya
Publisher:Ithaca: Cornell University Library, arXiv.org
Journal title:arXiv.org, 2020-11
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Select record 60
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Simultaneous Observation of Carrier-Specific Redistribution and Coherent Lattice Dynamics in 2H-MoTe\(_{2}\) with Femtosecond Core-Level Spectroscopy
Author / Creator:Attar, Andrew R ; Chang, Hung-Tzu ; Britz, Alexander ; Zhang, Xiang ; Ming-Fu, Lin ; Krishnamoorthy, Aravind ; Linker, Thomas ; Fritz, David ; Neumark, Daniel M ; Kalia, Rajiv K ; Nakano, Aiichiro ; Ajayan, Pulickel ; Vashishta, Priya ; Bergmann, Uwe ; Leone, Stephen R
Publisher:Ithaca: Cornell University Library, arXiv.org
Journal title:arXiv.org, 2020-10
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Showing 41 to 60 of 45 results

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Towards Dynamic Simulations of Materials on Quantum Computers

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Dewetting of monolayer water and isopropanol between MoS2 nanosheets

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AI-driven quantification of ground glass opacities in lungs of COVID-19 patients using 3D computed tomography imaging AI-driven quantification of ground glass opacities in lungs of COVID-19 patients u...

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Rapid and reversible lithiation of doped biogenous iron oxide nanoparticles

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Dewetting of monolayer water and isopropanol between MoS 2 nanosheets

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Molecular Simulation of MoS 2 Exfoliation

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Lattice Thermal Transport in Two-Dimensional Alloys and Fractal Heterostructures

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Generative AI-driven forecasting of oil production

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

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Molecular Autonomous Pathfinder using Deep Reinforcement Learning

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Pressure-Dependent Layer-by-Layer Oxidation of ZrS2(001) Surface

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Domain-Specific Compilers for Dynamic Simulations of Quantum Materials on Quantum Computers

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Multiscale Graph Neural Networks for Protein Residue Contact Map Prediction

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Hierarchical petascale simulation framework for stress corrosion cracking

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Allegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum Molecular Dynamics via Sharpness-Aware Minimization

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Predictive Synthesis of Quantum Materials by Probabilistic Reinforcement Learning

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Physics-informed Neural-Network Software for Molecular Dynamics Applications

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Anisotropic structural dynamics of monolayer crystals revealed by femtosecond surface x-ray scattering

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Computational framework for polymer synthesis to study dielectric properties using polarizable reactive molecular dynamics

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Simultaneous Observation of Carrier-Specific Redistribution and Coherent Lattice Dynamics in 2H-MoTe\(_{2}\) with Femtosecond Core-Level Spectroscopy

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