Jason D. Goodpaster

发表

Absolutely Localized Multi-reference DFT Embedding

Daniel B. Graham, Xuelan Wen, Dhabih V. Chulhai, 2020 .

A Simple, Exact Density-Functional-Theory Embedding Scheme

Frederick R. Manby, Thomas F. Miller, Jason D. Goodpaster, 2012, Journal of chemical theory and computation.

Accurate and systematically improvable quantum embedding methods for complex systems

Frederick R. Manby, Thomas F. Miller, Jason D. Goodpaster, 2014 .

Exactly embedded DFT for the efficient simulation of large systems

Thomas F. Miller, Jason D. Goodpaster, Taylor A. Barnes, 2012 .

Bimetallic Pd–Cu Oxygen Reduction Electrocatalysts

John T. Vaughey, Jason D. Goodpaster, Deborah J. Myers, 2008 .

Breaking the Correlation between Energy Costs and Kinetic Barriers in Hydrogen Evolution via a Cobalt Pyridine-Diimine-Dioxime Catalyst

Thomas F. Miller, Jonas C. Peters, Jason D. Goodpaster, 2016 .

Methanol dehydrogenation and oxidation on Pt(111) in alkaline solutions.

Jason D. Goodpaster, P. Kenis, A. Wiȩckowski, 2006, Langmuir : the ACS journal of surfaces and colloids.

Density functional theory embedding for correlated wavefunctions: improved methods for open-shell systems and transition metal complexes.

Frederick R Manby, Thomas F. Miller, Thomas F Miller, 2012, The Journal of chemical physics.

Exact nonadditive kinetic potentials for embedded density functional theory.

Frederick R Manby, Thomas F. Miller, Thomas F Miller, 2010, The Journal of chemical physics.

Robust, accurate, and efficient: quantum embedding using the Huzinaga level-shift projection operator for complex systems.

Dhabih V. Chulhai, Jason D. Goodpaster, J. Goodpaster, 2019, Journal of chemical theory and computation.

Accurate basis set truncation for wavefunction embedding.

Thomas F. Miller, Jason D. Goodpaster, Taylor A. Barnes, 2013, The Journal of chemical physics.

Accurate and systematically improvable density functional theory embedding for correlated wavefunctions.

Frederick R Manby, Thomas F. Miller, Thomas F Miller, 2014, The Journal of chemical physics.

Absolutely Localized Projection-Based Embedding for Excited States.

Dhabih V. Chulhai, Jason D. Goodpaster, J. Goodpaster, 2019, Journal of chemical theory and computation.

Mechanistic insights into electrochemical reduction of CO2 over Ag using density functional theory and transport models

Jason D. Goodpaster, M. Head‐Gordon, A. Bell, 2017, Proceedings of the National Academy of Sciences.

Embedded density functional theory for covalently bonded and strongly interacting subsystems.

Thomas F. Miller, Jason D. Goodpaster, Taylor A. Barnes, 2011, The Journal of chemical physics.

Carbodiimide Synthesis via Ti-Catalyzed Nitrene Transfer from Diazenes to Isocyanides.

Jason D. Goodpaster, Ian A. Tonks, James T Moore, 2019, ACS catalysis.

Fully quantum embedding with density functional theory for full configuration interaction quantum Monte Carlo.

Sai Kumar Ramadugu, Jason D. Goodpaster, J. Shepherd, 2019, Journal of chemical theory and computation.

Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis.

Jason D. Goodpaster, Ian A. Tonks, J. Goodpaster, 2020, ACS catalysis.

Projection-Based Correlated Wave Function in Density Functional Theory Embedding for Periodic Systems.

Dhabih V. Chulhai, Jason D. Goodpaster, J. Goodpaster, 2018, Journal of Chemical Theory and Computation.

Huzinaga projection embedding for efficient and accurate energies of systems with localized spin-densities.

Dhabih V. Chulhai, Jason D. Goodpaster, J. Goodpaster, 2021, The Journal of chemical physics.

The Role of Surface Defects in CO Oxidation, Methanol Oxidation, and Oxygen Reduction on Pt ( 111 )

Jason D. Goodpaster, P. Kenis, A. Wiȩckowski, 2007 .

Identification of Possible Pathways for C-C Bond Formation during Electrochemical Reduction of CO2: New Theoretical Insights from an Improved Electrochemical Model.

Jason D. Goodpaster, M. Head‐Gordon, A. Bell, 2016, The journal of physical chemistry letters.

Magnetic ordering through itinerant ferromagnetism in a metal–organic framework

Michael E. Ziebel, Jason D. Goodpaster, J. Long, 2021, Nature Chemistry.

Magnetic Ordering via Itinerant Ferromagnetism in a Metal-Organic Framework

Jason D. Goodpaster, J. Long, Michael L. Aubrey, 2020 .

Competing Effects of pH, Cation Identity, H2O Saturation, and N2 Concentration on the Activity and Selectivity of Electrochemical Reduction of N2 to NH3 on Electrodeposited Cu at Ambient Conditions

Jason D. Goodpaster, Meenesh R. Singh, J. Goodpaster, 2020 .

The Stability of the Complex and the Basicity of the Anion Impact the Selectivity and Affinity of Tripodal Gadolinium Complexes for Anions.

Jason D. Goodpaster, V. Pierre, Mandapati V Ramakrishnam Raju, 2019, Inorganic chemistry.

Fundamental insight into electrochemical oxidation of methane towards methanol on transition metal oxides

Jason D. Goodpaster, Meenesh R. Singh, J. Goodpaster, 2021, Proceedings of the National Academy of Sciences.

Efficient method for twist-averaged coupled cluster calculation of gap energy: Bulk study of stannic oxide

Jason D. Goodpaster, Maliheh Shaban Tameh, Wayne L. Gladfelter, 2024, AIP Advances.