| Quantifying solvation energies at solid/liquid interfaces using continuum solvation methods CM Gray, K Saravanan, G Wang, JA Keith Molecular Simulation 43 (5-6), 420-427, 2017 | 72 | 2017 |
| Alchemical predictions for computational catalysis: Potential and limitations K Saravanan, JR Kitchin, OA Von Lilienfeld, JA Keith The Journal of Physical Chemistry Letters 8 (20), 5002-5007, 2017 | 68 | 2017 |
| Computational investigation of CO 2 electroreduction on tin oxide and predictions of Ti, V, Nb and Zr dopants for improved catalysis K Saravanan, Y Basdogan, J Dean, JA Keith Journal of materials chemistry A 5 (23), 11756-11763, 2017 | 60 | 2017 |
| Nitrogen-self doped activated carbon nanosheets derived from peanut shells for enhanced hydrogen evolution reaction KRA Saravanan, N Prabu, M Sasidharan, G Maduraiveeran Applied Surface Science 489, 725-733, 2019 | 52 | 2019 |
| Carbon-supported Pd–Co as cathode catalyst for APEMFCs and validation by DFT S Maheswari, S Karthikeyan, P Murugan, P Sridhar, S Pitchumani Physical Chemistry Chemical Physics 14 (27), 9683-9695, 2012 | 49 | 2012 |
| Nitrogen-doped nanocarbon materials under electroreduction operating conditions and implications for electrocatalysis of CO2 K Saravanan, E Gottlieb, JA Keith Carbon 111, 859-866, 2017 | 26 | 2017 |
| Benchmarking computational alchemy for carbide, nitride, and oxide catalysts CD Griego, K Saravanan, JA Keith Advanced Theory and Simulations 2 (4), 1800142, 2019 | 23 | 2019 |
| Machine learning corrected alchemical perturbation density functional theory for catalysis applications CD Griego, L Zhao, K Saravanan, JA Keith AIChE Journal 66 (12), e17041, 2020 | 15 | 2020 |
| Structural and substituent group effects on multielectron standard reduction potentials of aromatic n-heterocycles MC Groenenboom, K Saravanan, Y Zhu, JM Carr, A Marjolin, GG Faura, ... The Journal of Physical Chemistry A 120 (34), 6888-6894, 2016 | 15 | 2016 |
| Structural Stability and Electronic Properties of CdS Condensed Clusters S Karthikeyan, E Deepika, P Murugan The Journal of Physical Chemistry C 116 (10), 5981-5985, 2012 | 13 | 2012 |
| Standard redox potentials, pKas, and hydricities of inorganic complexes under electrochemical conditions and implications for CO2 reduction K Saravanan, JA Keith Dalton Transactions 45 (39), 15336 - 15341, 2016 | 10 | 2016 |
| Oligomer hydrate crystallization improves carbon nanotube memory MT Chido, P Koronaios, K Saravanan, AP Adams, SJ Geib, Q Zhu, ... Chemistry of Materials 30 (11), 3813-3818, 2018 | 6 | 2018 |
| Improved Catalyst Predictions with Machine Learning Coupled Alchemical Perturbation Density Functional Theory C Griego, L Zhao, K Saravanan, J Keith 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
| Machine Learning Models Correct Systematic Errors in Alchemical Perturbation Density Functional Theory Applications to Catalysis CD Griego, L Zhao, K Saravanan, J Keith | | 2020 |
| Mechanistic Study of Water Oxidation to Ozone on Rutile SnO2 (110) with Computational Chemistry C Griego, A Leo, K Saravanan, J Keith 2019 AIChE Annual Meeting, 2019 | | 2019 |
| High Throughput Screening: Benchmarking Computational Alchemy for Carbide, Nitride, and Oxide Catalysts (Adv. Theory Simul. 4/2019) CD Griego, K Saravanan, JA Keith Advanced Theory and Simulations 2 (4), 1970010, 2019 | | 2019 |
| Computational High Throughput Searches for Efficient Catalysts K Saravanan University of Pittsburgh, 2019 | | 2019 |
| Computational Alchemy to Drive Searches for Catalysts through Materials Space C Griego, K Saravanan, J Keith 2018 AIChE Annual Meeting, 2018 | | 2018 |
| Homogeneous M (bpy)(CO) 3X and Aromatic N-heterocycle Catalysts for CO2 Reduction MC Groenenboom, K Saravanan, JA Keith | | 2018 |
| Homogeneous and Aromatic N-heterocycle M (bpy)(CO) 3X Catalysts for CO2 Reduction MC GROENENBOOM, K SARAVANAN, JA KEITH Electrochemical Reduction of Carbon Dioxide: Overcoming the Limitations of …, 2018 | | 2018 |
John A. KeithR.K. Mellon Faculty Fellow in Energy, Associate Professor, Chemical & Petroleum Engineering, PITTVerifierad e-postadress på pitt.edu
