CSC 4630: Reverse Engineering and Malware Analysis
Computational Materials
Large-Scale Simulations
B. Ghosh, D., B. Karki, B., & Wang, J. (2025). Speciation and diffusive dynamics in
hydrated grain boundaries of complex oxide Gd2Ti2O7. Physics and Chemistry of Minerals,
52(1), 6.
Karki, B. B., & Shakya, A. (2024). Deep neural network potentials for molecular dynamics
simulations of complex melt systems. AGU24.
Shakya, A., Ghosh, D. B., Jackson, C., Morra, G., & Karki, B. B. (2024). Insights
into core-mantle differentiation from bulk Earth melt simulations. Scientific Reports,
14(1), 18739.
Ranjit, S., Zhang, J., & Karki, B. B. (2024, May). Improved Polyp Segmentation of
Irregular Shapes in Colonoscopy Images. In 2024 IEEE World AI IoT Congress (AIIoT)
(pp. 380-386). IEEE.
Gyawali, D., Zhang, J., & Karki, B. B. (2024). Region-Transformer: Self-Attention
Region Based Class-Agnostic Point Cloud Segmentation. arXiv preprint arXiv:2403.01407.
Deng, J., Wentzcovitch, R., Karki, B. B., & Tsuchiya, J. Exploring Planetary Materials
through Computational Simulations and Data Analytics. In AGU24. AGU.
Karki, B. B., Ghosh, D. B., Wang, J., & Karato, S. I. (2023). Crystal–melt interfaces
in Mg2SiO4 at high pressure: structural and energetics insights from first-principles
simulations. Physics and Chemistry of Minerals, 50(4), 31.
Banjara, D., Ghosh, D. B., & Karki, B. B. (2023). First-principles simulations of
liquid iron-heavy element alloys at high pressure. Physics of the Earth and Planetary
Interiors, 337, 107008.
Bajgain, S. K., Ashley, A. W., Mookherjee, M., Ghosh, D. B., & Karki, B. B. (2022).
Insights into magma ocean dynamics from the transport properties of basaltic melt.
Nature communications, 13(1), 7590.
Ghosh, D. B., Karki, B. B., & Wang, J. (2022). Hydration-driven stabilization and
volume collapse of grain boundaries in Mg2SiO4 forsterite predicted by first-principles
simulations. American Mineralogist, 107(4), 744-753.
2022: AGU Fellow, American Geophysical Union
2015: Excellence in Refereeing, AGU Editor's Citation
2012: JSPS Fellowship, Japan Society for Promotion of Science
2010: LSU Rainmakers Faculty Mid-Career Scholar Award
2009: JMGM Graphics Prize, Elsevier and Molecular Graphics Modeling Society
2021-2025: NASA Emerging Worlds, PI: Bijaya B. Karki, $256,821.
2020-2025: CSEDI Collaborative, PI: Bijaya B. Karki, $183,998.
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