Jan-Niklas Boyn

发表

Quantum-classical hybrid algorithm for the simulation of all-electron correlation.

Scott E. Smart, L. Gagliardi, D. Mazziotti, 2021, The Journal of chemical physics.

Elucidating the molecular orbital dependence of the total electronic energy in multireference problems.

D. Mazziotti, Jan-Niklas Boyn, 2022, The Journal of chemical physics.

Interplay of Electronic and Geometric Structure Tunes Organic Biradical Character in Bimetallic Tetrathiafulvalene Tetrathiolate Complexes.

D. Mazziotti, John S. Anderson, Jan-Niklas Boyn, 2022, The journal of physical chemistry. A.

Generation and Aerobic Oxidative Catalysis of a Cu(II) Superoxo Complex Supported by a Redox-Active Ligand.

D. Mazziotti, A. Filatov, John S. Anderson, 2022, Journal of the American Chemical Society.

Reversible Switching of Organic Diradical Character via Iron-Based Spin-crossover.

D. Mazziotti, J. Kurutz, A. Filatov, 2020, Journal of the American Chemical Society.

An Intrinsically Glassy Metallic Coordination Polymer Showing Thermally and Aerobically Robust Conductivity

Jiwoong Park, Himchan Cho, Shrayesh N. Patel, 2022 .

Bright, Modular, and Switchable Near-Infrared II Emission from Compact Tetrathiafulvalene-Based Diradicaloid Complexes.

R. Schaller, D. Mazziotti, Christopher Melnychuk, 2022, Journal of the American Chemical Society.

Intrinsic glassy-metallic transport in an amorphous coordination polymer

Himchan Cho, Shrayesh N. Patel, K. Chapman, 2022, Nature.

Comparison of Density-Matrix Corrections to Density Functional Theory.

D. Mazziotti, Jan-Niklas Boyn, Daniel Gibney, 2022, Journal of chemical theory and computation.

Sparse non-orthogonal wave function expansions from the extension of the generalized Pauli constraints to the two-electron reduced density matrix.

D. Mazziotti, Jan-Niklas Boyn, 2019, The Journal of chemical physics.

Entangled Electrons Drive a Non-superexchange Mechanism in a Cobalt Quinoid Dimer Complex.

D. Mazziotti, Jiaze Xie, John S. Anderson, 2020, The journal of physical chemistry letters.

Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds†

D. Mazziotti, A. Filatov, Jiaze Xie, 2019, Chemical science.

Accurate singlet-triplet gaps in biradicals via the spin averaged anti-Hermitian contracted Schrödinger equation.

D. Mazziotti, Jan-Niklas Boyn, 2021, The Journal of chemical physics.

Resolving correlated states of benzyne with an error-mitigated contracted quantum eigensolver

Scott E. Smart, D. Mazziotti, Jan-Niklas Boyn, 2022, Physical Review A.

Resolution of the Relative Energies of the Benzyne Isomers on a Quantum Computer Using a Contracted Schr\"odinger Equation

Scott E. Smart, D. Mazziotti, Jan-Niklas Boyn, 2021 .

Resolving Correlated States of Benzyne on a Quantum Computer with an Error-Mitigated Quantum Contracted Eigenvalue Solver

Scott E. Smart, D. Mazziotti, Jan-Niklas Boyn, 2021, 2103.06876.

Density Functional Theory Transformed into a One-Electron Reduced-Density-Matrix Functional Theory for the Capture of Static Correlation.

D. Mazziotti, Jan-Niklas Boyn, Daniel Gibney, 2022, The journal of physical chemistry letters.

Thermally and Aerobically Robust Conductivity in an Intrinsically Glassy Metallic Coordination Polymer

Himchan Cho, Shrayesh N. Patel, D. Talapin, 2022 .

Tetrathiafulvalene-2,3,6,7-tetrathiolate linker redox-state elucidation via S K-edge X-ray absorption spectroscopy

John S. Anderson, Ningxin Jiang, Arun Ramanathan, 2023, Chemical Communications.

Resolving correlated states of benzyne with an error-mitigated contracted quantum eigensolver

Scott E. Smart, D. Mazziotti, Jan-Niklas Boyn, 2021, Physical Review A.

Probing pH-Dependent Dehydration Dynamics of Mg and Ca Cations in Aqueous Solutions with Multi-Level Quantum Mechanics/Molecular Dynamics Simulations.

Jan-Niklas Boyn, Emily A. Carter, 2023, Journal of the American Chemical Society.

Characterizing the Mechanisms of Ca and Mg Carbonate Ion-Pair Formation with Multi-Level Molecular Dynamics/Quantum Mechanics Simulations

Jan-Niklas Boyn, Emily A. Carter, 2023, The Journal of Physical Chemistry B.

Elucidating non-radiative decay in near-infrared lumiphores: Leveraging new design principles to develop a telecom band organic dye laser

D. Mazziotti, Jan-Niklas Boyn, Lauren E McNamara, 2024, Chem.