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ACS Nano|April 13, 2023
Pressure-Controlled Layer-by-Layer to Continuous Oxidation of ZrS<sub>2</sub>(001) SurfaceLiqiu Yang, Rafael Jaramillo, Rajiv K Kalia, et al.
Scientific Reports|January 19, 2021
Lattice thermal transport in two-dimensional alloys and fractal heterostructuresAravind Krishnamoorthy, Nitish Baradwaj, Aiichiro Nakano, et al.
Nanotechnology|August 25, 2021
Electric-field-induced crossover of polarization reversal mechanisms in Al<sub>1-</sub>Sc<i></i>N ferroelectricsAravind Krishnamoorthy, Subodh C Tiwari, Aiichiro Nakano, et al.
The Journal of Chemical Physics|January 8, 2026
Supercritical water at ten densities from 0.1 to 1.0 gr/cc at 1000 K using ab initio molecular dynamics simulationsNitish Baradwaj, Ken-Ichi Nomura, Aiichiro Nakano, et al.
The Journal of Chemical Physics|August 31, 2004
Large-scale molecular dynamics simulations of alkanethiol self-assembled monolayersSatyavani Vemparala, Bijaya B Karki, Rajiv K Kalia, et al.
Physical Review Letters|November 19, 2013
Nanobubble collapse on a silica surface in water: billion-atom reactive molecular dynamics simulationsAdarsh Shekhar, Ken-ichi Nomura, Rajiv K Kalia, et al.
Physical Review Letters|August 8, 2009
Void deformation and breakup in shearing silica glassYi-Chun Chen, Ken-ichi Nomura, Rajiv K Kalia, et al.
ACS Nano|February 6, 2026
Emerging Ferroelectric Domains: Stacking and Rotational Landscape of MoS<sub>2</sub> Moiré BilayersAnikeya Aditya, Ayu Irie, Nabankur Dasgupta, et al.
The Journal of Chemical Physics|July 5, 2011
Reaction of aluminum clusters with waterSatoshi Ohmura, Fuyuki Shimojo, Rajiv K Kalia, et al.
Scientific Reports|January 20, 2016
The nature of free-carrier transport in organometal halide perovskitesTomoya Hakamata, Kohei Shimamura, Fuyuki Shimojo, et al.
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