David A Mazziotti (D A Mazziotti)

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 36

Top Topics

Density Functional Theory

Hydrogen Peroxide

Perovskite Solar Cells

Energy Transfer

Top Venues

The journal of physical chemistry. A

Journal of the American Chemical Society

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

This page only lists publications with an associated author ORCID identifier.

Publications

Rishab Dutta, Delmar G A Cabral, Ningyi Lyu, Nam P Vu, Yuchen Wang, Brandon Allen, Xiaohan Dan, Rodrigo G Cortiñas, Pouya Khazaei, Max Schäfer, Alejandro C C D Albornoz, Scott E Smart, Scott Nie, Michel H Devoret, David A Mazziotti, Prineha Narang, Chen Wang, James D Whitfield, Angela K Wilson, Heidi P Hendrickson, Daniel A Lidar, Francisco Pérez-Bernal, Lea F Santos, Sabre Kais, Eitan Geva, Victor S Batista
Simulating Chemistry on Bosonic Quantum Devices. Journal of chemical theory and computation (2024)
Yuchen Wang, David A Mazziotti
Quantum simulation of conical intersections. Physical chemistry chemical physics : PCCP (2024)
Lauren E McNamara, Jan-Niklas Boyn, Sophie W Anferov, Alexander S Filatov, Miles W Maloney, David A Mazziotti, Richard D Schaller, John S Anderson
Variable Peripheral Ligand Donation Tunes Electronic Structure and NIR II Emission in Tetrathiafulvalene Tetrathiolate Diradicaloids. Journal of the American Chemical Society (2024)
Lillian I Payne Torres, Anna O Schouten, David A Mazziotti
Lifetime of Strongly Correlated States on Near-Term Quantum Computers. The journal of physical chemistry. A (2024)
Yuchen Wang, David A Mazziotti
Quantum simulation of conical intersections. Physical chemistry chemical physics : PCCP 26 (15) (2024)
Lillian I Payne Torres, Anna O Schouten, David A Mazziotti
Lifetime of Strongly Correlated States on Near-Term Quantum Computers. The journal of physical chemistry. A 128 (34) (2024)
Sophie W Anferov, Jan-Niklas Boyn, David A Mazziotti, John S Anderson
Selective Cobalt-Mediated Formation of Hydrogen Peroxide from Water under Mild Conditions via Ligand Redox Non-Innocence. Journal of the American Chemical Society (2024)
Lillian I Payne Torres, Anna O Schouten, David A Mazziotti
Lifetime of Strongly Correlated States on Near-Term Quantum Computers. The journal of physical chemistry. A 128 (34) (2024)
Rishab Dutta, Delmar G A Cabral, Ningyi Lyu, Nam P Vu, Yuchen Wang, Brandon Allen, Xiaohan Dan, Rodrigo G Cortiñas, Pouya Khazaei, Max Schäfer, Alejandro C C D Albornoz, Scott E Smart, Scott Nie, Michel H Devoret, David A Mazziotti, Prineha Narang, Chen Wang, James D Whitfield, Angela K Wilson, Heidi P Hendrickson, Daniel A Lidar, Francisco Pérez-Bernal, Lea F Santos, Sabre Kais, Eitan Geva, Victor S Batista
Simulating Chemistry on Bosonic Quantum Devices. Journal of chemical theory and computation 20 (15) (2024)
Sophie W Anferov, Jan-Niklas Boyn, David A Mazziotti, John S Anderson
Selective Cobalt-Mediated Formation of Hydrogen Peroxide from Water under Mild Conditions via Ligand Redox Non-Innocence. Journal of the American Chemical Society 146 (9) (2024)
Lauren E McNamara, Jan-Niklas Boyn, Sophie W Anferov, Alexander S Filatov, Miles W Maloney, David A Mazziotti, Richard D Schaller, John S Anderson
Variable Peripheral Ligand Donation Tunes Electronic Structure and NIR II Emission in Tetrathiafulvalene Tetrathiolate Diradicaloids. Journal of the American Chemical Society 146 (25) (2024)
LeeAnn M Sager-Smith, Scott E Smart, David A Mazziotti
Qubit Condensation for Assessing Efficacy of Molecular Simulation on Quantum Computers. The journal of physical chemistry. A (2023)
Chen-Yu Lien, Jan-Niklas Boyn, Sophie W Anferov, David A Mazziotti, John S Anderson
Origin of Weak Magnetic Coupling in a Dimanganese(II) Complex Bridged by the Tetrathiafulvalene-Tetrathiolate Radical. Inorganic chemistry (2023)
Daniel Gibney, Jan-Niklas Boyn, David A Mazziotti
Comparison of Density-Matrix Corrections to Density Functional Theory. Journal of chemical theory and computation 18 (11) (2022)
Jiaze Xie, Simon Ewing, Jan-Niklas Boyn, Alexander S Filatov, Baorui Cheng, Tengzhou Ma, Garrett L Grocke, Norman Zhao, Ram Itani, Xiaotong Sun, Himchan Cho, Zhihengyu Chen, Karena W Chapman, Shrayesh N Patel, Dmitri V Talapin, Jiwoong Park, David A Mazziotti, John S Anderson
Intrinsic glassy-metallic transport in an amorphous coordination polymer. Nature 611 (7936) (2022)
Jan-Niklas Boyn, Lauren E McNamara, John S Anderson, David A Mazziotti
Interplay of Electronic and Geometric Structure Tunes Organic Biradical Character in Bimetallic Tetrathiafulvalene Tetrathiolate Complexes. The journal of physical chemistry. A 126 (21) (2022)
Maia E Czaikowski, Andrew J McNeece, Jan-Niklas Boyn, Kate A Jesse, Sophie W Anferov, Alexander S Filatov, David A Mazziotti, John S Anderson
Generation and Aerobic Oxidative Catalysis of a Cu(II) Superoxo Complex Supported by a Redox-Active Ligand. Journal of the American Chemical Society 144 (34) (2022)
LeeAnn M Sager-Smith, David A Mazziotti
Reducing the Quantum Many-Electron Problem to Two Electrons with Machine Learning. Journal of the American Chemical Society 144 (41) (2022)
Scott E Smart, David A Mazziotti
Accelerated Convergence of Contracted Quantum Eigensolvers through a Quasi-Second-Order, Locally Parameterized Optimization. Journal of chemical theory and computation 18 (9) (2022)
Lauren E McNamara, Jan-Niklas Boyn, Christopher Melnychuk, Sophie W Anferov, David A Mazziotti, Richard D Schaller, John S Anderson
Bright, Modular, and Switchable Near-Infrared II Emission from Compact Tetrathiafulvalene-Based Diradicaloid Complexes. Journal of the American Chemical Society 144 (36) (2022)
Daniel Gibney, Jan-Niklas Boyn, David A Mazziotti
Density Functional Theory Transformed into a One-Electron Reduced-Density-Matrix Functional Theory for the Capture of Static Correlation. The journal of physical chemistry letters 13 (6) (2022)
Anna O Schouten, LeeAnn M Sager, David A Mazziotti
Exciton Condensation in Molecular-Scale van der Waals Stacks. The journal of physical chemistry letters 12 (40) (2021)
Manas Sajjan, Shayan Hemmatiyan, David A Mazziotti
Conductance Switching in an Organometallic Single-Electron Transistor Using Current-Constrained Reduced-Density Matrix Theory. The journal of physical chemistry. A 125 (24) (2021)
Daniel Gibney, Jan-Niklas Boyn, David A Mazziotti
Toward a Resolution of the Static Correlation Problem in Density Functional Theory from Semidefinite Programming. The journal of physical chemistry letters 12 (1) (2020)
Airi Kawamura, Jiaze Xie, Jan-Niklas Boyn, Kate A Jesse, Andrew J McNeece, Ethan A Hill, Kelsey A Collins, Juan A Valdez-Moreira, Alexander S Filatov, Josh W Kurutz, David A Mazziotti, John S Anderson
Reversible Switching of Organic Diradical Character via Iron-Based Spin-Crossover. Journal of the American Chemical Society 142 (41) (2020)
Jan-Niklas Boyn, Jiaze Xie, John S Anderson, David A Mazziotti
Entangled Electrons Drive a Non-superexchange Mechanism in a Cobalt Quinoid Dimer Complex. The journal of physical chemistry letters 11 (12) (2020)
Jason M Montgomery, Ezra Alexander, David A Mazziotti
Prediction of the Existence of LiCH: A Carbene-like Organometallic Molecule. The journal of physical chemistry. A 124 (46) (2020)
Kade Head-Marsden, David A Mazziotti
Active-Space Pair Two-Electron Reduced Density Matrix Theory for Strong Correlation. The journal of physical chemistry. A 124 (23) (2020)
Alexandra E Raeber, David A Mazziotti
Non-equilibrium steady state conductivity in cyclo[18]carbon and its boron nitride analogue. Physical chemistry chemical physics : PCCP 22 (41) (2020)
Jiaze Xie, Jan-Niklas Boyn, Alexander S Filatov, Andrew J McNeece, David A Mazziotti, John S Anderson
Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds. Chemical science 11 (4) (2019)
Alexandra E Raeber, David A Mazziotti
Current-constrained one-electron reduced density-matrix theory for non-equilibrium steady-state molecular conductivity. Physical chemistry chemical physics : PCCP 21 (23) (2019)
Alexandra R McIsaac, David A Mazziotti
Ligand non-innocence and strong correlation in manganese superoxide dismutase mimics. Physical chemistry chemical physics : PCCP 19 (6) (2018)
Jason M Montgomery, David A Mazziotti
Strong Electron Correlation in Nitrogenase Cofactor, FeMoco. The journal of physical chemistry. A 122 (22) (2018)
Shayan Hemmatiyan, M Sajjan, A W Schlimgen, David A Mazziotti
Excited-State Spectra of Strongly Correlated Molecules from a Reduced-Density-Matrix Approach. The journal of physical chemistry letters 9 (18) (2018)
Anthony W Schlimgen, David A Mazziotti
Static and Dynamic Electron Correlation in the Ligand Noninnocent Oxidation of Nickel Dithiolates. The journal of physical chemistry. A 121 (48) (2017)
Andrew J S Valentine, Dmitri V Talapin, David A Mazziotti
Orbitals, Occupation Numbers, and Band Structure of Short One-Dimensional Cadmium Telluride Polymers. The journal of physical chemistry. A 121 (16) (2017)