| Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways K Mathew, R Sundararaman, K Letchworth-Weaver, TA Arias, RG Hennig The Journal of chemical physics 140 (8), 2014 | 2432 | 2014 |
| Implicit self-consistent electrolyte model in plane-wave density-functional theory K Mathew, VS Kolluru, S Mula, SN Steinmann, RG Hennig The Journal of chemical physics 151 (23), 2019 | 911 | 2019 |
| Computational screening of 2D materials for photocatalysis AK Singh, K Mathew, HL Zhuang, RG Hennig The journal of physical chemistry letters 6 (6), 1087-1098, 2015 | 773 | 2015 |
| Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows K Mathew, JH Montoya, A Faghaninia, S Dwarakanath, M Aykol, H Tang, ... Computational Materials Science 139, 140-152, 2017 | 380 | 2017 |
| Accuracy of exchange-correlation functionals and effect of solvation on the surface energy of copper M Fishman, HL Zhuang, K Mathew, W Dirschka, RG Hennig Physical Review B—Condensed Matter and Materials Physics 87 (24), 245402, 2013 | 305 | 2013 |
| Predicted surface composition and thermodynamic stability of MXenes in solution M Ashton, K Mathew, RG Hennig, SB Sinnott The Journal of Physical Chemistry C 120 (6), 3550-3556, 2016 | 254 | 2016 |
| Solid–solid phase transformations induced through cation exchange and strain in 2D heterostructured copper sulfide nanocrystals DH Ha, AH Caldwell, MJ Ward, S Honrao, K Mathew, R Hovden, ... Nano letters 14 (12), 7090-7099, 2014 | 184 | 2014 |
| MPInterfaces: A Materials Project based Python tool for high-throughput computational screening of interfacial systems K Mathew, AK Singh, JJ Gabriel, K Choudhary, SB Sinnott, AV Davydov, ... Computational Materials Science 122, 183-190, 2016 | 143 | 2016 |
| Density functional theory study of the electrochemical interface between a Pt electrode and an aqueous electrolyte using an implicit solvent method S Sakong, M Naderian, K Mathew, RG Hennig, A Groß The Journal of chemical physics 142 (23), 2015 | 142 | 2015 |
| High-throughput computational X-ray absorption spectroscopy K Mathew, C Zheng, D Winston, C Chen, A Dozier, JJ Rehr, SP Ong, ... Scientific data 5 (1), 1-8, 2018 | 139 | 2018 |
| Automated generation and ensemble-learned matching of X-ray absorption spectra C Zheng, K Mathew, C Chen, Y Chen, H Tang, A Dozier, JJ Kas, FD Vila, ... npj Computational Materials 4 (1), 12, 2018 | 134 | 2018 |
| Implicit self-consistent description of electrolyte in plane-wave density-functional theory K Mathew, RG Hennig arXiv preprint arXiv:1601.03346 1601, 03346, 2016 | 104 | 2016 |
| Structures, phase stabilities, and electrical potentials of Li-Si battery anode materials WW Tipton, CR Bealing, K Mathew, RG Hennig Physical Review B—Condensed Matter and Materials Physics 87 (18), 184114, 2013 | 77 | 2013 |
| Evaluation of thermodynamic equations of state across chemistry and structure in the materials project K Latimer, S Dwaraknath, K Mathew, D Winston, KA Persson npj Computational Materials 4 (1), 40, 2018 | 60 | 2018 |
| Predicting the electrochemical synthesis of 2D materials from first principles M Ashton, N Trometer, K Mathew, J Suntivich, C Freysoldt, SB Sinnott, ... The Journal of Physical Chemistry C 123 (5), 3180-3187, 2019 | 41 | 2019 |
| Dynamical properties of AlN nanostructures and heterogeneous interfaces predicted using COMB potentials K Choudhary, T Liang, K Mathew, B Revard, A Chernatynskiy, SR Phillpot, ... Computational Materials Science 113, 80-87, 2016 | 30 | 2016 |
| The Conundrum of Relaxation Volumes in First-Principles Calculations of Charged Defects in UO2 A Goyal, K Mathew, RG Hennig, A Chernatynskiy, CR Stanek, ST Murphy, ... Applied Sciences 9 (24), 5276, 2019 | 18 | 2019 |
| Interface‐Driven Structural Distortions and Composition Segregation in Two‐Dimensional Heterostructures J Ditto, DR Merrill, G Mitchson, JJ Gabriel, K Mathew, RG Hennig, ... Angewandte Chemie International Edition 56 (46), 14448-14452, 2017 | 12 | 2017 |
| Computational discovery of lanthanide doped and Co-doped Y3Al5O12 for optoelectronic applications K Choudhary, A Chernatynskiy, K Mathew, EW Bucholz, SR Phillpot, ... Applied Physics Letters 107 (11), 2015 | 12 | 2015 |
| Implicit self-consistent description of electrolyte in plane-wave density-functional theory. 2016 K Mathew, RG Hennig arXiv preprint arXiv:1601.03346, 0 | 6 | |
Richard G. HennigUniversity of FloridaPotvrđena adresa e-pošte na ufl.edu