1. Benchmarking Computational Alchemy for Carbide, Nitride, and Oxide Catalysts. Issue 4 (9th November 2018) Authors: Griego, Charles D.; Saravanan, Karthikeyan; Keith, John A. Journal: Advanced theory and simulations Issue: Volume 2:Issue 4(2019) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Computational investigation of CO2 electroreduction on tin oxide and predictions of Ti, V, Nb and Zr dopants for improved catalysis. Issue 23 (8th March 2017) Authors: Saravanan, Karthikeyan; Basdogan, Yasemin; Dean, James; Keith, John A. Journal: Journal of materials chemistry Issue: Volume 5:Issue 23(2017) Page Start: 11756 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. High Throughput Screening: Benchmarking Computational Alchemy for Carbide, Nitride, and Oxide Catalysts (Adv. Theory Simul. 4/2019). Issue 4 (4th April 2019) Authors: Griego, Charles D.; Saravanan, Karthikeyan; Keith, John A. Journal: Advanced theory and simulations Issue: Volume 2:Issue 4(2019) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Machine learning corrected alchemical perturbation density functional theory for catalysis applications. Issue 12 (4th October 2020) Authors: Griego, Charles D.; Zhao, Lingyan; Saravanan, Karthikeyan; Keith, John A. Journal: AIChE journal Issue: Volume 66:Issue 12(2020) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Nitrogen-doped nanocarbon materials under electroreduction operating conditions and implications for electrocatalysis of CO2. (January 2017) Authors: Saravanan, Karthikeyan; Gottlieb, Eric; Keith, John A. Journal: Carbon Issue: Volume 111(2017) Page Start: 859 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Quantifying solvation energies at solid/liquid interfaces using continuum solvation methods. Issue 5 (13th April 2017) Authors: Gray, Corinne M.; Saravanan, Karthikeyan; Wang, Guofeng; Keith, John A. Journal: Molecular simulation Issue: Volume 43:Issue 5/6(2017) Page Start: 420 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗