19. Long timescale molecular dynamics simulations of carboxylic acid-modified anatase TiO2(101)-water interfaces using ab-initio deep neural network potentials

Abhinav S. Raman and Annabella Selloni, Surface Science (2024), 750, 122595.     

18. Insights into the structure and dynamics of K+ ions at the muscovite-water interface from machine learning potential simulations

Abhinav S. Raman and Annabella Selloni, The Journal of Chemical Physics (2024), 160, 244708.     

17. An ab-initio deep neural network potential for accurate large-scale simulations of the muscovite mica-water interface

Abhinav S. Raman and Annabella Selloni, Molecular Physics (2024), e2365430.     

16. Electrical double layer and capacitance of TiO2 electrolyte interfaces from first principles simulations 

Chunyi Zhang, Marcos Calegari Andrade, Zachary K. Goldsmith, Abhinav S. Raman, Yifan Li, Pablo Piaggi, Xifan Wu, Roberto Car, and Annabella Selloni, arXiv:2404.00167 (2024).

15.  Adsorption model for atoms and molecules on doped semiconducting oxides

Abhinav S. Raman, Colin Lehman-Chong, and Aleksandra Vojvodic, Physical Review B (2024),109,195416.                         

14. Acid-Base Chemistry of a Model IrO2 Catalytic Interface

Abhinav S. Raman and Annabella Selloni, Journal of Physical Chemistry Letters (2023),14,7787-7794.       

13. Modeling the solvation and acidity of carboxylic acids using an ab-initio deep neural network potential

Abhinav S. Raman and Annabella Selloni, Journal of Physical Chemistry A (2022),126, 40,7283-7290.              

12. Providing atomistic insights into the dissolution of rutile oxides in electrocatalytic water-splitting

Abhinav S. Raman and Aleksandra Vojvodic, Journal of Physical Chemistry C (2022),126, 2,922-932.              

11. Surface stability of perovskite oxides under OER operating conditions: A first-principles approach

Abhinav S. Raman, Roshan Patel, and Aleksandra Vojvodic, Faraday Discussions (2021),229,75-88.

10. Modeling exsolution of Pt from ATiO3 perovskites (A=Ca/Sr/Ba) using first-principles methods

Abhinav S. Raman and Aleksandra Vojvodic, Chemistry of Materials (2020),32,22,9642-9649.

9. Reviving Inert Oxides for Electrochemical Water splitting by Subsurface Engineering

Liang Zhang, Abhinav S. Raman, and Aleksandra Vojvodic, Chemistry of Materials (2020),32,13,5569-5578.

8. Computational screening of 2D ordered double transition metal carbides (MXenes) as Electrocatalysts for Hydrogen Evolution Reaction

Di Jin, Luke R. Johnson, Abhinav S. Raman, Xing Ming, Yu Gao, Fei Du, Yingjin Wei, Gang Chen,  Aleksandra Vojvodic, Yury Gogotsi, and Xing Meng, Journal of Physical Chemistry C (2020),124,19,10584-10592.

7. Mxene Materials for the electrochemical nitrogen reduction-Functionalized or not?

Luke R. Johnson, Sudiksha Sridhar, Liang Zhang, Kurt D. Fredrickson, Abhinav S. Raman, Joonbaek Jang, Connor Leach, Ashwin Padmanabhan, Christopher C. Price, Nathan C. Frey, Abhishek Raizada, Vishwanathan Rajaraman, Sai Aparna Saiprasad, Xiaoxin Tang, and Aleksandra Vojvodic, ACS Catalysis (2020),10,1,253-264.

6. Enhancing oxygen exchange activity by tailoring perovskite surfaces

Yuan Cheng, Abhinav S. Raman, Julian Paige, Liang Zhang, Danyi Sun, Mavis U. Chen, Aleksandra Vojvodic, Raymond J. Gorte, and John M. Vohs, Journal of Physical Chemistry Letters (2019),10,14,4082-4088.

5. Energy Trends in Adsorption at Surfaces, Handbook of Materials Modelling, Volume 2, Applications: Current and Emerging Materials

Abhinav S. Raman and Aleksandra Vojvodic, Ed. Wanda Andreoni and Sidney Yip, Springer International Publishing (2019).

4. Interaction of PCL based self-assembled nano-polymeric micelles with model lipid bilayers using coarse-grained molecular dynamics simulations

Abhinav S. Raman, Joshua Pajak, and Y.C. Chiew, Chemical Physics Letters (2018),712,1-6.

3. Widom Line, dynamical crossover and percolation transition of supercritical oxygen via molecular dynamics simulations

Abhinav S. Raman, Huiyong Li, and Y.C. Chiew, The Journal of Chemical Physics (2018),148,014502.

2. A coarse-grained model for PCL: Conformation, self-assembly of MePEG-b-PCL amphiphilic diblock copolymers

Abhinav S. Raman, Aleksey Vishnyakov, and Y.C. Chiew, Molecular Simulation (2017),43,2,92-101.

1. Solubility of polycyclic aromatic hydrocarbons in sub-critical water: A predictive approach using EoS/GE models

Abhinav S. Raman and Y.C. Chiew, Fluid Phase Equilibria (2015),399,22-29.