DELI Lab Presentations

(International)

2027

April

  • Towards realistic simulations of electrocatalytic interfaces using machine learning potentials, Nitish Govindarajan, MRS Spring 2027, Seattle, WA, USA (Invited)

January

  • Faithful to DFT and reality? Two response based frameworks to benchmark MLIPs in electrocataysis, Nitish Govindarajan, CECAM workshop on Computational Electrochemistry in the era of AI, Xiamen, China (Invited)

2026

November

  • Machine learning accelerated simulations of electrocatalytic interfaces, Nitish Govindarajan, RSC FIRST 2026: AI in Chemistry, Xiamen, China (Invited)

October

  • Towards realistic simulations of electrocatalytic interfaces using machine learning potentials, Nitish Govindarajan, ICMS 2026, Bangalore, India (Invited)

August

  • Atomistic simulations of electrocatalytic interfaces using machine learning interatomic potentials, Nitish Govindarajan,‍ ‍ACS Fall 2026, Chicago, IL, USA (Invited)

July

  • Beyond legacy paradigms and systems in electrocatalysis, Nitish Govindarajan, ANSCSE29, Nakhon Ratchasima, Thailand (Keynote)

  • Beyond legacy paradigms and systems in electrocatalysis, Nitish Govindarajan, CBE Department Seminar, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, South Korea (Invited)

  • Towards realistic simulations of electrocatalytic interfaces using neural network models, Nitish Govindarajan,Nanokorea 2026, Seoul, South Korea (Invited)

June

  • A mechanistic framework to interpret proton-coupled electron transfer kinetics in heterogeneous electrocatalysis, Nitish Govindarajan,GRC Catalysis 2026, New London, NH, USA [Poster]

January

  • The overlooked role of adsorption isotherms in electrocatalysis, Nitish Govindarajan,‍GRC Electrochemistry 2026: Late-breaking topics, 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

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