DELI Lab Presentations

2026

January

  • The overlooked role of adsorption isotherms in electrocatalysis, Nitish Govindarajan, Late Breaking Topics: GRC Electrochemistry 2026, Ventura, CA, USA (Invited)

  • Using atomistic simulations to estimate water activity in blended organic solvent/water electrolytes, Manya Aggarwal, MOLSIM 2026, Amsterdam, The Netherlands [Poster]

  • Multiscale modeling of dissolution and restructuring of electrocatalysts under operando conditions, Wayu Takemura, MOLSIM 2026, Amsterdam, The Netherlands [Poster]

2025

September

  • Insights into multiscale modeling of electrochemical CO2 conversion, Nitish Govindarajan, Lennard-Jones Centre-CECAM Meeting 2025, Cambridge, UK

July

  • Multiscale modeling of electrochemical CO2 conversion, Nitish Govindarajan, ANSCSE28, Thammasat University, Thailand (Invited)

  • Comprehensive sampling of coverage effects in catalysis by leveraging generalization in neural network models, Nitish Govindarajan, AI4X 2025, Singapore

June

  • Atomistic simulation of electrified interfaces for biomass conversion, Nitish Govindarajan,Telluride Science Workshop on biomass valorization through electro-conversion reactions, Telluride, CO, USA (Invited)

  • Challenges in modeling adsorption processes in (electro)catalysis, Nitish Govindarajan, NAM29, Atlanta, GA, USA