Publications
See our Google Scholar page for a full list of publications
At NTU Singapore
*:Corresponding Author | #:Equal Contribution
5. The overlooked role of adsorption isotherms in surface electrocatalysis
Nitish Govindarajan#*, An T. Chu#, Christopher Hahn, Yogesh Surendranath*, To be submitted
4. Understanding cation and surface charging effects at electrified interfaces using neural network interatomic potentials
Jiawei Guo, Marcos F. Calegari Andrade*, Christopher Hahn, Ambarish Kulkarni*, Nitish Govindarajan*, To be submitted
3. Why computational electrochemistry is hard
Nitish Govindarajan#, Georg Kastlunger#, Joseph Gauthier#, Katharina Doblhoff-Dier* et al., Under Review (2025)
2. Understanding the unique reactivity of Cu for electrochemical CO2 reduction with a 3-site model
Joel B. Varley*, Nitish Govindarajan, Joel W. Ager, The Journal of Physical Chemistry Letters, 16, 604-610 (2025)
1. Comprehensive sampling of coverage effects in catalysis by leveraging generalization in neural network models
Daniel Schwalbe-Koda*, Nitish Govindarajan*, Joel B. Varley, Digital Discovery, 4, 234-251 (2025)