Publications

You can also find my articles on my Google Scholar profile.

N.B. † indicates equal author contribution

1. A Multiobjective Closed-loop Approach Towards Autonomous Discovery of Electrocatalysts for Nitrogen Reduction

   L. Kavalsky, V.I. Hegde, B. Meredig, V. Viswanathan. 2023 [arXiv]

   
   
   

2. By how much can closed loop frameworks accelerate computational materials discovery?

   L. Kavalsky†, V.I. Hegde†, E. Muckley, M.S. Johnson, B. Meredig, V. Viswanathan. Digital Discovery, 2023, 2, 1112-1125 [link][arXiv]

   
   
   

3. Reversible Alkaline Hydrogen Evolution and Oxidation Reactions Using Ni–Mo Catalysts Supported on Carbon

   R.B. Patil, M. Kaur, S.D. House, L. Kavalsky, K. Hu, S. Zhong, D. Krishnamurthy, V. Viswanathan, J. Yang, Y. Yan, J. Lattimer, J.R. McKone. Energy Advances, 2023, 2 (9), 1500-1511 [link][arXiv]

   
   
   

4. AutoMat: Automated materials discovery for electrochemical systems

   E. Annevelink, R.C. Kurchin, E. Muckley, L. Kavalsky, V.I. Hegde, V. Sulzer, S. Zhu, J. Pu, D. Farina, M.S. Johnson, D. Gandhi, A. Dave, H. Lin, A. Edelman, B. Ramsundar, J. Saal, C. Rackauckas, V. Shah, B. Meredig, V. Viswanathan. MRS Bulletin, 2022, 47 (10), 1036-1044 [link][arXiv]

   
   
   

5. Robust Analysis of 4e– Versus 6e– Reduction of Nitrogen on Metal Surfaces and Single-Atom Alloys

   L.M. Tsiverioti, L. Kavalsky, V. Viswanathan. The Journal of Physical Chemistry C, 2022, 126 (31), 12994-13003 [link][arXiv]

   
   
   

6. Robust Active Site Design of Single-Atom Catalysts for Electrochemical Ammonia Synthesis

   L. Kavalsky, V. Viswanathan. The Journal of Physical Chemistry C, 2020, 124 (42), 23164-23176 [link][arXiv]

   
   
   

7. Dramatic improvement in the performance of graphene as Li/Na battery anodes with suitable electrolytic solvents

   S. Mukherjee, L. Kavalsky, K. Chattopadhyay, C.V. Singh. Carbon 2020, 161, 570-576 [link]

   
   
   

8. Compression induced resistance of singlet oxygen dissociation on phosphorene

   L. Kavalsky, S. Mukherjee, C.V. Singh. Physical Review Materials, 2020, 4, 021001 (Editor’s Suggestion) [link]

   
   
   

9. Phosphorene as a Catalyst for Highly Efficient Nonaqueous Li–Air Batteries

   L. Kavalsky, S. Mukherjee, C.V. Singh. ACS Applied Materials & Interfaces, 2019, 11 (1), 499-510 [link]

   
   
   

10. Adsorption and diffusion of lithium polysulfides over blue phosphorene for Li–S batteries

    S. Mukherjee, L. Kavalsky, C.V. Singh. Nanoscale, 2018 10 (45), 21335-21352 [link]

    
    
    

11. Ultrahigh Storage and Fast Diffusion of Na and K in Blue Phosphorene Anodes

    S. Mukherjee†, L. Kavalsky†, C.V. Singh. ACS Applied Materials & Interfaces, 2018, 10 (10), 8630-8639 [link]