Contributed Talks

Transition Metal Dichalcogenides with Double Vacancies as Catalysts for Efficient CO₂ Reduction to Methanol

Event: 2025 Interfaces for Energy and the Environment Conference
Location: Seattle, Wa, USA
Date: May 2025

Carbondioxide emission and conversion to methanol as a way to mitigate climate change
Transition metal dichalcogenides (TMDs) with double vacancies as catalysts for CO₂ reduction
Demonstrated the potential of TMDs in enhancing CO₂ conversion efficiency to methanol through computational modeling and simulations.
Screening TMDs for their catalytic properties and understanding the mechanisms of CO₂ reduction reactions to find a better catalyst as compared to Molebdenum Disulfide.

Event: Cascade RAIN Meeting at Oregon State University, April 26
Location: Corvallis, OR., USA
Date: April 2025

Presented a immersed interface method for solving the generalized Poisson equation and with complex geometries and interface jumps in 3D.

Event: The Scientific comPUting and Data Science (SPUDS) Seminar
Location: Boise, ID, USA
Date: September 10, 2024

Introduced the immersed interface method (IIM) for solving continuum solvation models, focusing on its application to electrostatic systems with complex geometries and interface jumps.
Gave mathematical example in 1D and 2D, and discussed the implementation of IIM in Python.

Event: American Chemical Soceity Fall 2024 Meeting
Location: Denver, Co, 2024

Presented a talk on the use of surface topology maps to enhance the accuracy and efficiency of catalysis simulations, focusing on the application of these maps in computational materials science.
Discussed the integration of surface topology maps with machine learning techniques to improve the predictive capabilities of catalysis simulations.
Explored the potential of surface topology maps in identifying key catalytic sites and optimizing reaction pathways in complex materials systems.