| Year |
Citation |
Score |
| 2024 |
Yang L, Nomura KI, Krishnamoorthy A, Linker T, Kalia RK, Nakano A, Vashishta P. Surface Transfer Doping in MoO/Hydrogenated Diamond Heterostructure. The Journal of Physical Chemistry Letters. 15: 1579-1583. PMID 38302442 DOI: 10.1021/acs.jpclett.3c03541 |
0.414 |
|
| 2023 |
Kolesnikov AI, Krishnamoorthy A, Nomura KI, Wu Z, Abernathy DL, Huq A, Granroth GE, Christe KO, Haiges R, Kalia RK, Nakano A, Vashishta P. Inelastic Neutron Scattering Study of Phonon Density of States of Iodine Oxides and First-Principles Calculations. The Journal of Physical Chemistry Letters. 10080-10087. PMID 37917420 DOI: 10.1021/acs.jpclett.3c02357 |
0.402 |
|
| 2023 |
Linker TM, Nomura KI, Fukushima S, Kalia RK, Krishnamoorthy A, Nakano A, Shimamura K, Shimojo F, Vashishta P. Induction and Ferroelectric Switching of Flux Closure Domains in Strained PbTiO with Neural Network Quantum Molecular Dynamics. Nano Letters. PMID 37556684 DOI: 10.1021/acs.nanolett.3c01885 |
0.46 |
|
| 2023 |
Aditya A, Mishra A, Baradwaj N, Nomura KI, Nakano A, Vashishta P, Kalia RK. Wrinkles, Ridges, Miura-Ori, and Moiré Patterns in MoSe Using Neural Networks. The Journal of Physical Chemistry Letters. 14: 1732-1739. PMID 36757778 DOI: 10.1021/acs.jpclett.2c03539 |
0.423 |
|
| 2022 |
Linker T, Nomura KI, Fukushima S, Kalia RK, Krishnamoorthy A, Nakano A, Shimamura K, Shimojo F, Vashishta P. Squishing Skyrmions: Symmetry-Guided Dynamic Transformation of Polar Topologies Under Compression. The Journal of Physical Chemistry Letters. 13: 11335-11345. PMID 36454058 DOI: 10.1021/acs.jpclett.2c03029 |
0.473 |
|
| 2022 |
Krishnamoorthy A, Nomura KI, Baradwaj N, Shimamura K, Ma R, Fukushima S, Shimojo F, Kalia RK, Nakano A, Vashishta P. Hydrogen Bonding in Liquid Ammonia. The Journal of Physical Chemistry Letters. 7051-7057. PMID 35900140 DOI: 10.1021/acs.jpclett.2c01608 |
0.406 |
|
| 2022 |
Wang B, Jackson S, Nakano A, Nomura KI, Vashishta P, Kalia R, Stevens M. Neural Network for Principle of Least Action. Journal of Chemical Information and Modeling. PMID 35786887 DOI: 10.1021/acs.jcim.2c00515 |
0.472 |
|
| 2022 |
Linker T, Nomura KI, Aditya A, Fukshima S, Kalia RK, Krishnamoorthy A, Nakano A, Rajak P, Shimmura K, Shimojo F, Vashishta P. Exploring far-from-equilibrium ultrafast polarization control in ferroelectric oxides with excited-state neural network quantum molecular dynamics. Science Advances. 8: eabk2625. PMID 35319991 DOI: 10.1126/sciadv.abk2625 |
0.483 |
|
| 2021 |
Rajak P, Baradwaj N, Nomura KI, Krishnamoorthy A, Rino JP, Shimamura K, Fukushima S, Shimojo F, Kalia R, Nakano A, Vashishta P. Neural Network Quantum Molecular Dynamics, Intermediate Range Order in GeSe, and Neutron Scattering Experiments. The Journal of Physical Chemistry Letters. 6020-6028. PMID 34165308 DOI: 10.1021/acs.jpclett.1c01272 |
0.48 |
|
| 2021 |
Krishnamoorthy A, Nomura KI, Baradwaj N, Shimamura K, Rajak P, Mishra A, Fukushima S, Shimojo F, Kalia R, Nakano A, Vashishta P. Dielectric Constant of Liquid Water Determined with Neural Network Quantum Molecular Dynamics. Physical Review Letters. 126: 216403. PMID 34114857 DOI: 10.1103/PhysRevLett.126.216403 |
0.47 |
|
| 2021 |
Nazarova AL, Yang L, Liu K, Mishra A, Kalia RK, Nomura KI, Nakano A, Vashishta P, Rajak P. Dielectric Polymer Property Prediction Using Recurrent Neural Networks with Optimizations. Journal of Chemical Information and Modeling. PMID 33871989 DOI: 10.1021/acs.jcim.0c01366 |
0.383 |
|
| 2021 |
Hong S, Tiwari S, Krishnamoorthy A, Nomura KI, Sheng C, Kalia RK, Nakano A, Shimojo F, Vashishta P. Sulfurization of MoO in the Chemical Vapor Deposition Synthesis of MoS Enhanced by an HS/H Mixture. The Journal of Physical Chemistry Letters. 1997-2003. PMID 33596379 DOI: 10.1021/acs.jpclett.0c03280 |
0.437 |
|
| 2020 |
Linker T, Tiwari S, Fukushima S, Kalia RK, Krishnamoorthy A, Nakano A, Nomura KI, Shimamura K, Shimojo F, Vashishta P. Optically Induced Three-Stage Picosecond Amorphization in Low-Temperature SrTiO. The Journal of Physical Chemistry Letters. 9605-9612. PMID 33124829 DOI: 10.1021/acs.jpclett.0c02873 |
0.455 |
|
| 2020 |
Sajib MSJ, Wei Y, Mishra A, Zhang L, Nomura KI, Kalia RK, Vashishta P, Nakano A, Murad S, Wei T. Atomistic Simulations of Biofouling and Molecular Transfer of Crosslinked Aromatic Polyamide Membrane for Desalination. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 32460500 DOI: 10.1021/Acs.Langmuir.0C01308 |
0.508 |
|
| 2020 |
Misawa M, Fukushima S, Koura A, Shimamura K, Shimojo F, Tiwari S, Nomura KI, Kalia RK, Nakano A, Vashishta P. Application of First-Principles-Based Artificial Neural Network Potentials to Multiscale-Shock Dynamics Simulations on Solid Materials. The Journal of Physical Chemistry Letters. 4536-4541. PMID 32443935 DOI: 10.1021/Acs.Jpclett.0C00637 |
0.539 |
|
| 2020 |
Jiang Y, Deng S, Hong SW, Tiwari SC, Chen H, Nomura KI, Kalia RK, Nakano A, Vashishta PD, Zachariah MR, Zheng X. Synergistically Chemical and Thermal Coupling between Graphene Oxide and Graphene Fluoride for Enhancing Aluminum Combustion. Acs Applied Materials & Interfaces. PMID 31950820 DOI: 10.1021/Acsami.9B20397 |
0.476 |
|
| 2020 |
Nomura K, Kalia RK, Nakano A, Rajak P, Vashishta P. RXMD: A scalable reactive molecular dynamics simulator for optimized time-to-solution Softwarex. 11: 100389. DOI: 10.1016/J.Softx.2019.100389 |
0.538 |
|
| 2020 |
Liu J, Mohan A, Kalia RK, Nakano A, Nomura K, Vashishta P, Yao K. Boltzmann machine modeling of layered MoS2 synthesis on a quantum annealer Computational Materials Science. 173: 109429. DOI: 10.1016/J.Commatsci.2019.109429 |
0.486 |
|
| 2020 |
Huang S, Hong S, Su Y, Jiang Y, Fukushima S, Gill TM, Yilmaz NED, Tiwari S, Nomura K, Kalia RK, Nakano A, Shimojo F, Vashishta P, Chen M, Zheng X. Enhancing combustion performance of nano-Al/PVDF composites with β-PVDF Combustion and Flame. 219: 467-477. DOI: 10.1016/J.Combustflame.2020.06.011 |
0.462 |
|
| 2019 |
Hong S, Nomura KI, Krishnamoorthy A, Rajak P, Sheng C, Kalia RK, Nakano A, Vashishta PD. Defect Healing in Layered Materials: A Machine Learning-Assisted Characterization of MoS Crystal-Phases. The Journal of Physical Chemistry Letters. PMID 31046288 DOI: 10.1021/Acs.Jpclett.9B00425 |
0.504 |
|
| 2019 |
Li Y, Nomura K, Insley JA, Morozov V, Kumaran K, Romero NA, Goddard WA, Kalia RK, Nakano A, Vashishta P. Scalable Reactive Molecular Dynamics Simulations for Computational Synthesis Computing in Science & Engineering. 21: 64-75. DOI: 10.1109/Mcse.2018.110150043 |
0.563 |
|
| 2019 |
Horton BK, Kalia RK, Moen E, Nakano A, Nomura K, Qian M, Vashishta P, Hafreager A. Game-Engine-Assisted Research platform for Scientific computing (GEARS) in Virtual Reality Softwarex. 9: 112-116. DOI: 10.1016/J.Softx.2019.01.009 |
0.47 |
|
| 2018 |
Jiang Y, Deng S, Hong S, Zhao J, Huang S, Wu CC, Gottfried JL, Nomura KI, Li Y, Tiwari S, Kalia RK, Vashishta P, Nakano A, Zheng X. Energetic Performance of Optically Activated Aluminum/Graphene Oxide Composites. Acs Nano. PMID 30335365 DOI: 10.1021/Acsnano.8B06217 |
0.458 |
|
| 2018 |
He Y, Nomura K, Kalia RK, Nakano A, Vashishta P. Structure and dynamics of water confined in nanoporous carbon Physical Review Materials. 2. DOI: 10.1103/Physrevmaterials.2.115605 |
0.481 |
|
| 2018 |
Mishra A, Hong S, Rajak P, Sheng C, Nomura K, Kalia RK, Nakano A, Vashishta P. Multiobjective genetic training and uncertainty quantification of reactive force fields Npj Computational Materials. 4. DOI: 10.1038/s41524-018-0098-3 |
0.354 |
|
| 2018 |
Hong S, Sheng C, Krishnamoorthy A, Rajak P, Tiwari S, Nomura K, Misawa M, Shimojo F, Kalia RK, Nakano A, Vashishta P. Chemical Vapor Deposition Synthesis of MoS2 Layers from the Direct Sulfidation of MoO3 Surfaces Using Reactive Molecular Dynamics Simulations The Journal of Physical Chemistry C. 122: 7494-7503. DOI: 10.1021/Acs.Jpcc.7B12035 |
0.549 |
|
| 2017 |
Tiwari SC, Nomura K, Kalia RK, Nakano A, Vashishta P. Multiple Reaction Pathways in Shocked 2,4,6-Triamino-1,3,5-trinitrobenzene Crystal The Journal of Physical Chemistry C. 121: 16029-16034. DOI: 10.1021/Acs.Jpcc.7B05253 |
0.54 |
|
| 2016 |
Li Y, Kalia RK, Misawa M, Nakano A, Nomura KI, Shimamura K, Shimojo F, Vashishta P. Anisotropic mechanoresponse of energetic crystallites: a quantum molecular dynamics study of nano-collision. Nanoscale. PMID 27110831 DOI: 10.1039/C5Nr08769D |
0.496 |
|
| 2016 |
Nomura K, Kalia RK, Li Y, Nakano A, Rajak P, Sheng C, Shimamura K, Shimojo F, Vashishta P. Nanocarbon synthesis by high-temperature oxidation of nanoparticles. Scientific Reports. 6: 24109. PMID 27095061 DOI: 10.1038/Srep24109 |
0.469 |
|
| 2016 |
Sheng C, Nomura K, Rajak P, Nakano A, Kalia RK, Vashishta P. Quantum Molecular Dynamics Validation of Nanocarbon Synthesis by High-Temperature Oxidation of Nanoparticles Mrs Advances. 1: 1811-1816. DOI: 10.1557/Adv.2016.413 |
0.568 |
|
| 2016 |
Tiwari SC, Nomura K, Kalia R, Nakano A, Vashishta P. Shock-Induced Decomposition of 1, 3, 5-triamino-2, 4, 6-trinitrobenzene: A Reactive-Force-Field Molecular Dynamics Study Mrs Advances. 1: 1247-1253. DOI: 10.1557/Adv.2016.278 |
0.548 |
|
| 2015 |
Vashishta P, Kalia RK, Nakano A, Li Y, Nomura KI, Shekhar A, Shimojo F, Shimamura K, Kunaseth M. Reactive molecular dynamics simulations, data analytics and visualization Materials Research Society Symposium Proceedings. 1756: 1-12. DOI: 10.1557/Opl.2015.201 |
0.479 |
|
| 2015 |
Nomura KI, Small PE, Kalia RK, Nakano A, Vashishta P. An extended-Lagrangian scheme for charge equilibration in reactive molecular dynamics simulations Computer Physics Communications. 192: 91-96. DOI: 10.1016/J.Cpc.2015.02.023 |
0.562 |
|
| 2014 |
Shimamura K, Shimojo F, Kalia RK, Nakano A, Nomura K, Vashishta P. Hydrogen-on-demand using metallic alloy nanoparticles in water. Nano Letters. 14: 4090-6. PMID 24960149 DOI: 10.1021/Nl501612V |
0.47 |
|
| 2014 |
Shimojo F, Hattori S, Kalia RK, Kunaseth M, Mou W, Nakano A, Nomura K, Ohmura S, Rajak P, Shimamura K, Vashishta P. A divide-conquer-recombine algorithmic paradigm for large spatiotemporal quantum molecular dynamics simulations. The Journal of Chemical Physics. 140: 18A529. PMID 24832337 DOI: 10.1063/1.4869342 |
0.511 |
|
| 2014 |
Nakano A, Hattori S, Kalia RK, Mou W, Nomura KI, Rajak P, Vashishta P, Shimamura K, Shimojo F, Kunaseth M, Ohmura S, Messina PC, Romero NA. Divide-conquer-recombine: An algorithmic pathway toward metascalability Acm International Conference Proceeding Series. 2014: 17-27. DOI: 10.1145/2737909.2737911 |
0.346 |
|
| 2014 |
Li Y, Kalia RK, Nakano A, Nomura KI, Vashishta P. Multistage reaction pathways in detonating high explosives Applied Physics Letters. 105. DOI: 10.1063/1.4902128 |
0.543 |
|
| 2014 |
Choubey A, Nomura KI, Kalia RK, Nakano A, Vashishta P. Small interfering ribonucleic acid induces liquid-to-ripple phase transformation in a phospholipid membrane Applied Physics Letters. 105. DOI: 10.1063/1.4896273 |
0.661 |
|
| 2014 |
Seymour R, Hemeryck A, Nomura KI, Wang W, Kalia RK, Nakano A, Vashishta P. Nanoindentation of NiAl and Ni3Al crystals on (100), (110), and (111) surfaces: A molecular dynamics study Applied Physics Letters. 104. DOI: 10.1063/1.4867168 |
0.522 |
|
| 2013 |
Shekhar A, Nomura K, Kalia RK, Nakano A, Vashishta P. Nanobubble collapse on a silica surface in water: billion-atom reactive molecular dynamics simulations. Physical Review Letters. 111: 184503. PMID 24237524 DOI: 10.1103/Physrevlett.111.184503 |
0.553 |
|
| 2012 |
Clark R, Wang W, Nomura K, Kalia RK, Nakano A, Vashishta P. Heat-Initiated Oxidation of an Aluminum Nanoparticle Mrs Proceedings. 1405. DOI: 10.1557/Opl.2012.62 |
0.509 |
|
| 2012 |
Knoll A, Insley J, Papka ME, Nomura KI, Kalia RK, Nakano A, Vashishta P. Molecular dynamics simulation of amorphous SiO2 fracture Proceedings - 2012 Sc Companion: High Performance Computing, Networking Storage and Analysis, Scc 2012. 1569-1571. DOI: 10.1109/SC.Companion.2012.327 |
0.471 |
|
| 2012 |
Nomura K, Kalia RK, Nakano A, Vashishta P, van Duin ACT. Mechanochemistry of shock-induced nanobubble collapse near silica in water Applied Physics Letters. 101: 073108. DOI: 10.1063/1.4746270 |
0.544 |
|
| 2012 |
Hattori S, Kalia RK, Nakano A, Nomura KI, Vashishta P. Ion dynamics at porous alumina surfaces Applied Physics Letters. 101. DOI: 10.1063/1.4742869 |
0.517 |
|
| 2012 |
Yuan Z, Nomura KI, Nakano A. A core/shell mechanism for stacking-fault generation in GaAs nanowires Applied Physics Letters. 100. DOI: 10.1063/1.3703765 |
0.335 |
|
| 2012 |
Yuan Z, Nomura K, Nakano A. Core/shell structural transformation and brittle-to-ductile transition in nanowires Applied Physics Letters. 100: 153116. DOI: 10.1063/1.3703303 |
0.348 |
|
| 2012 |
Nomura K, Choubey A, Vedadi M, Kalia RK, Nakano A, Vashishta P. Poration of Lipid Bilayers by Shock-Induced Nanobubble Collapse Biophysical Journal. 102: 729a. DOI: 10.1016/j.bpj.2011.11.3957 |
0.592 |
|
| 2012 |
Choubey A, Nomura K, Kalia R, Nakano A, Vashishta P. Cholesterol Flip-Flop Dynamics in a Phospholipid Bilayer: All Atom Molecular Dynamics Simulations Biophysical Journal. 102: 241a. DOI: 10.1016/J.Bpj.2011.11.1329 |
0.682 |
|
| 2012 |
Dursun H, Kunaseth M, Nomura K, Chame J, Lucas RF, Chen C, Hall M, Kalia RK, Nakano A, Vashishta P. Hierarchical parallelization and optimization of high-order stencil computations on multicore clusters The Journal of Supercomputing. 62: 946-966. DOI: 10.1007/S11227-012-0764-Z |
0.459 |
|
| 2011 |
Nomura KI, Chen YC, Kalia RK, Nakano A, Vashishta P. Defect migration and recombination in nanoindentation of silica glass Applied Physics Letters. 99. DOI: 10.1063/1.3637052 |
0.528 |
|
| 2011 |
Yuan Z, Chen H, Wang W, Nomura K, Kalia RK, Nakano A, Vashishta P. Sulfur-impurity induced amorphization of nickel Journal of Applied Physics. 110: 063501. DOI: 10.1063/1.3636368 |
0.546 |
|
| 2011 |
Choubey A, Vedadi M, Nomura KI, Kalia RK, Nakano A, Vashishta P. Poration of lipid bilayers by shock-induced nanobubble collapse Applied Physics Letters. 98. DOI: 10.1016/J.Bpj.2011.11.3957 |
0.676 |
|
| 2011 |
Peng L, Kunaseth M, Dursun H, Nomura K, Wang W, Kalia RK, Nakano A, Vashishta P. Exploiting hierarchical parallelisms for molecular dynamics simulation on multicore clusters The Journal of Supercomputing. 57: 20-33. DOI: 10.1007/S11227-011-0560-1 |
0.51 |
|
| 2010 |
Vedadi M, Choubey A, Nomura K, Kalia RK, Nakano A, Vashishta P, van Duin AC. Structure and dynamics of shock-induced nanobubble collapse in water. Physical Review Letters. 105: 014503. PMID 20867452 DOI: 10.1103/Physrevlett.105.014503 |
0.665 |
|
| 2010 |
Chen HP, Kalia RK, Kaxiras E, Lu G, Nakano A, Nomura K, van Duin AC, Vashishta P, Yuan Z. Embrittlement of metal by solute segregation-induced amorphization. Physical Review Letters. 104: 155502. PMID 20481998 DOI: 10.1103/Physrevlett.104.155502 |
0.509 |
|
| 2009 |
Chen YC, Nomura K, Kalia RK, Nakano A, Vashishta P. Void deformation and breakup in shearing silica glass. Physical Review Letters. 103: 035501. PMID 19659293 DOI: 10.1103/Physrevlett.103.035501 |
0.488 |
|
| 2009 |
Teranishi M, Okamoto H, Takeda K, Nomura K, Nakano A, Kalia RK, Vashishta P, Shimojo F. Molecular dynamical approach to the conformational transition in peptide nanorings and nanotubes. The Journal of Physical Chemistry. B. 113: 1473-84. PMID 19133731 DOI: 10.1021/Jp8067975 |
0.413 |
|
| 2009 |
Nomura K, Chen Y, Weiqiang W, Kalia RK, Nakano A, Vashishta P, Yang LH. Interaction and coalescence of nanovoids and dynamic fracture in silica glass: multimillion-to-billion atom molecular dynamics simulations Journal of Physics D: Applied Physics. 42: 214011. DOI: 10.1088/0022-3727/42/21/214011 |
0.554 |
|
| 2009 |
Nishimura K, Chen H, Kalia RK, Nakano A, Nomura K, Vashishta P, Shimojo F. Response to “Comment on ‘Nanoindentation hardness anisotropy of alumina crystal: a molecular-dynamics study’” [Appl. Phys. Lett. 94, 146101 (2009)] Applied Physics Letters. 94: 146102. DOI: 10.1063/1.3114376 |
0.447 |
|
| 2008 |
Nakano A, Kalia RK, Nomura K, Sharma A, Vashishta P, Shimojo F, C. T. van Duin A, Goddard WA, Biswas R, Srivastava D, Yang LH. De Novo Ultrascale Atomistic Simulations On High-End Parallel Supercomputers The International Journal of High Performance Computing Applications. 22: 113-128. DOI: 10.1177/1094342007085015 |
0.462 |
|
| 2008 |
Shimojo F, Kalia RK, Nakano A, Nomura K, Vashishta P. Metascalable molecular dynamics simulation of nano-mechano-chemistry Journal of Physics: Condensed Matter. 20: 294204. DOI: 10.1088/0953-8984/20/29/294204 |
0.574 |
|
| 2008 |
Chen YC, Nomura KI, Kalia RK, Nakano A, Vashishta P. Molecular dynamics nanoindentation simulation of an energetic material Applied Physics Letters. 93. DOI: 10.1063/1.3006428 |
0.575 |
|
| 2008 |
Nomura Ki, Kalia RK, Nakano A, Vashishta P. A scalable parallel algorithm for large-scale reactive force-field molecular dynamics simulations Computer Physics Communications. 178: 73-87. DOI: 10.1016/J.Cpc.2007.08.014 |
0.552 |
|
| 2007 |
Chen YC, Lu Z, Nomura K, Wang W, Kalia RK, Nakano A, Vashishta P. Interaction of voids and nanoductility in silica glass. Physical Review Letters. 99: 155506. PMID 17995183 DOI: 10.1103/Physrevlett.99.155506 |
0.591 |
|
| 2007 |
Nomura K, Kalia RK, Nakano A, Vashishta P, van Duin AC, Goddard WA. Dynamic transition in the structure of an energetic crystal during chemical reactions at shock front prior to detonation. Physical Review Letters. 99: 148303. PMID 17930730 DOI: 10.1103/Physrevlett.99.148303 |
0.567 |
|
| 2007 |
Nomura KI, Kalia RK, Nakano A, Vashishta P. Reactive nanojets: Nanostructure-enhanced chemical reactions in a defected energetic crystal Applied Physics Letters. 91. DOI: 10.1063/1.2804557 |
0.555 |
|
| 2007 |
Nakano A, Kalia RK, Nomura K, Sharma A, Vashishta P, Shimojo F, van Duin AC, Goddard WA, Biswas R, Srivastava D. A divide-and-conquer/cellular-decomposition framework for million-to-billion atom simulations of chemical reactions Computational Materials Science. 38: 642-652. DOI: 10.1016/J.Commatsci.2006.04.012 |
0.518 |
|
| 2007 |
Nomura K, Kalia RK, Nakano A, Vashishta P, Landa JL. Parallel history matching and associated forecast at the center for interactive smart oilfield technologies The Journal of Supercomputing. 41: 109-117. DOI: 10.1007/S11227-006-0031-2 |
0.499 |
|
| 2005 |
Lu Z, Nomura K, Sharma A, Wang W, Zhang C, Nakano A, Kalia R, Vashishta P, Bouchaud E, Rountree C. Dynamics of wing cracks and nanoscale damage in glass. Physical Review Letters. 95: 135501. PMID 16197145 DOI: 10.1103/Physrevlett.95.135501 |
0.577 |
|
| 2005 |
Landa JL, Kalia RK, Nakano A, Nomura K, Vashishta P. History match and associated forecast uncertainty analysis - Practical approaches using cluster computing 2005 International Petroleum Technology Conference Proceedings. 1319-1328. |
0.422 |
|
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