Jonathon Witte

Jonathon Witte

University of California Berkeley - Berkeley / United States
Engineering & Technology / Electrical & Electronic Engineering
AD Scientific Index ID: 1735111
person_outline Jonathon Witte's MOST POPULAR ARTICLES
1-) Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 packageE Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...The Journal of chemical physics 155 (8), 084801, 20214882021
2-) Design criteria for stable Pt/C fuel cell catalystsJC Meier, C Galeano, I Katsounaros, J Witte, HJ Bongard, AA Topalov, ...Beilstein journal of nanotechnology 5 (1), 44-67, 20144812014
3-) Beyond Energies: Geometries of Nonbonded Molecular Complexes as Metrics for Assessing Electronic Structure ApproachesJ Witte, M Goldey, JB Neaton, M Head-GordonJournal of Chemical Theory and Computation 11 (4), 1481-1492, 2015822015
4-) Assessing DFT-D3 Damping Functions Across Widely Used Density Functionals: Can We Do Better?J Witte, N Mardirossian, JB Neaton, M Head-GordonJournal of Chemical Theory and Computation 13 (5), 2043-2052, 20171032017
5-) Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theoryJ Witte, JB Neaton, M Head-GordonThe Journal of Chemical Physics 144 (19), 194306, 2016612016