Jason Goodpaster
Jason Goodpaster
Verified email at umn.edu - Homepage
Title
Cited by
Cited by
Year
A simple, exact density-functional-theory embedding scheme
FR Manby, M Stella, JD Goodpaster, TF Miller III
Journal of chemical theory and computation 8 (8), 2564-2568, 2012
2542012
Identification of Possible Pathways for C–C Bond Formation during Electrochemical Reduction of CO2: New Theoretical Insights from an Improved Electrochemical …
JD Goodpaster, AT Bell, M Head-Gordon
The journal of physical chemistry letters 7 (8), 1471-1477, 2016
2312016
Mechanism of CO oxidation on Pt (111) in alkaline media
JS Spendelow, JD Goodpaster, PJA Kenis, A Wieckowski
The Journal of Physical Chemistry B 110 (19), 9545-9555, 2006
1622006
Exact nonadditive kinetic potentials for embedded density functional theory
JD Goodpaster, N Ananth, FR Manby, TF Miller III
The Journal of chemical physics 133 (8), 084103, 2010
1612010
Mechanistic insights into electrochemical reduction of CO2 over Ag using density functional theory and transport models
MR Singh, JD Goodpaster, AZ Weber, M Head-Gordon, AT Bell
Proceedings of the National Academy of Sciences 114 (42), E8812-E8821, 2017
1272017
Bimetallic Pd–Cu oxygen reduction electrocatalysts
X Wang, N Kariuki, JT Vaughey, J Goodpaster, R Kumar, DJ Myers
Journal of The Electrochemical Society 155 (6), B602, 2008
1262008
Accurate and systematically improvable density functional theory embedding for correlated wavefunctions
JD Goodpaster, TA Barnes, FR Manby, TF Miller III
The Journal of chemical physics 140 (18), 18A507, 2014
1132014
Density functional theory embedding for correlated wavefunctions: Improved methods for open-shell systems and transition metal complexes
JD Goodpaster, TA Barnes, FR Manby, TF Miller III
The Journal of chemical physics 137 (22), 224113, 2012
932012
Embedded density functional theory for covalently bonded and strongly interacting subsystems
JD Goodpaster, TA Barnes, TF Miller III
The Journal of chemical physics 134 (16), 164108, 2011
862011
Methanol dehydrogenation and oxidation on Pt (111) in alkaline solutions
JS Spendelow, JD Goodpaster, PJA Kenis, A Wieckowski
Langmuir 22 (25), 10457-10464, 2006
682006
Accurate basis set truncation for wavefunction embedding
TA Barnes, JD Goodpaster, FR Manby, TF Miller III
The Journal of chemical physics 139 (2), 024103, 2013
672013
The role of surface defects in CO oxidation, methanol oxidation, and oxygen reduction on Pt (111)
JS Spendelow, Q Xu, JD Goodpaster, PJA Kenis, A Wieckowski
Journal of The Electrochemical Society 154 (12), F238, 2007
532007
Mechanism of Ti-catalyzed oxidative nitrene transfer in [2+ 2+ 1] pyrrole synthesis from alkynes and azobenzene
ZW Davis-Gilbert, X Wen, JD Goodpaster, IA Tonks
Journal of the American Chemical Society 140 (23), 7267-7281, 2018
502018
Breaking the correlation between energy costs and kinetic barriers in hydrogen evolution via a cobalt pyridine-diimine-dioxime catalyst
P Huo, C Uyeda, JD Goodpaster, JC Peters, TF Miller III
ACS Catalysis 6 (9), 6114-6123, 2016
432016
Projection-based correlated wave function in density functional theory embedding for periodic systems
DV Chulhai, JD Goodpaster
Journal of chemical theory and computation 14 (4), 1928-1942, 2018
412018
Improved accuracy and efficiency in quantum embedding through absolute localization
DV Chulhai, JD Goodpaster
Journal of chemical theory and computation 13 (4), 1503-1508, 2017
282017
Absolutely localized projection-based embedding for excited states
X Wen, DS Graham, DV Chulhai, JD Goodpaster
Journal of chemical theory and computation 16 (1), 385-398, 2019
162019
Carbodiimide Synthesis via Ti-Catalyzed Nitrene Transfer from Diazenes to Isocyanides
EP Beaumier, ME McGreal, AR Pancoast, RH Wilson, JT Moore, ...
ACS Catalysis 9 (12), 11753-11762, 2019
152019
Cp2Ti(κ2-tBuNCNtBu): A Complex with an Unusual κ2 Coordination Mode of a Heterocumulene Featuring a Free Carbene
EP Beaumier, CP Gordon, RP Harkins, ME McGreal, X Wen, C Copéret, ...
Journal of the American Chemical Society 142 (17), 8006-8018, 2020
52020
Fully quantum embedding with density functional theory for full configuration interaction quantum Monte Carlo
HR Petras, DS Graham, SK Ramadugu, JD Goodpaster, JJ Shepherd
Journal of chemical theory and computation 15 (10), 5332-5342, 2019
52019
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