Matthew R. Hennefarth

University of Chicago — United States

Physics and Astronomy · Physical Sciences

12h-index686citations48works1.42yr avg
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Research Topics

Advanced Chemical Physics Studies(14), Spectroscopy and Quantum Chemical Studies(12), Machine Learning in Materials Science(12), Sexual function and dysfunction studies(5), Computational Drug Discovery Methods(4)

Publications48 total

Correction to “Multireference Embedding and Fragmentation Methods for Classical and Quantum Computers: From Model Systems to Realistic Applications”
Chemical Reviews·2026
Multireference Embedding and Fragmentation Methods for Classical and Quantum Computers: From Model Systems to Realistic Applications
Chemical Reviews·2026· 1 cited
Linearized Pair-Density Functional Theory with Spin–Orbit Coupling
Journal of Chemical Theory and Computation·2025
Linearized Pair-Density Functional Theory with Spin-Orbit Coupling
2025· 1 citedOpen Access
MC25: An Accurate Meta Pair-Density Functional for Multiconfiguration Pair-Density Functional Theory and Linearized Pair-Density Functional Theory
Journal of Chemical Theory and Computation·2025
Analytic Dipole Moments For Complete Active Space Linearized Pair-Density Functional Theory
The Journal of Physical Chemistry Letters·2025
Linearized Pair-Density Functional Theory with Spin-Orbit Coupling
2025Open Access
MC25: An Accurate Meta Pair-Density Functional for Multiconfiguration Pair-Density Functional Theory and Linearized Pair-Density Functional Theory
2025Open Access
The Modern Era of Multireference Methods for Chemistry and Materials Science
2025
Weighted active space protocol for multireference machine-learned potentials
Proceedings of the National Academy of Sciences·2025· 5 citedOpen Access
Analytic Dipole Moments For Complete Active Space Linearized Pair-Density Functional Theory
2025Open Access
MC-PDFT Nuclear Gradients and L-PDFT Energies with Meta and Hybrid Meta On-Top Functionals for Ground- and Excited-State Geometry Optimization and Vertical Excitation Energies
Journal of Chemical Theory and Computation·2025· 4 citedOpen Access
Analytic Dipole Moments For Complete Active Space Linearized Pair-Density Functional Theory
2025Open Access
Multireference Embedding and Fragmentation Methods for Classical and Quantum Computers: from Model Systems to Realistic Applications
arXiv (Cornell University)·2025Open Access
<i>PyCPET</i>─Computing Heterogeneous 3D Protein Electric Fields and Their Dynamics
Journal of Chemical Theory and Computation·2025· 1 cited
PyCPET - Computing Heterogeneous 3D Protein Electric Fields and Their Dynamics
2024Open Access
Semiclassical Nonadiabatic Molecular Dynamics Using Linearized Pair-Density Functional Theory
Journal of Chemical Theory and Computation·2024· 8 cited
Semiclassical Nonadiabatic Molecular Dynamics Using Linearized Pair-Density Functional Theory
arXiv (Cornell University)·2024Open Access
Analytic Nuclear Gradients for Complete Active Space Linearized Pair-Density Functional Theory
Journal of Chemical Theory and Computation·2024· 6 citedOpen Access
Analytic Nuclear Gradients for Complete Active Space Linearized Pair-Density Functional Theory
arXiv (Cornell University)·2024Open Access
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Frequent Co-authors

Laura Gagliardi(23), Donald G. Truhlar(18), Matthew R. Hermes(15), Anastassia N. Alexandrova(14), Daniel S. King(6), Santiago Vargas(6), Marshall L. Stoller(6), Sunita P. Ho(6), Bhavnesh Jangid(6), Guiting Lin(5), Misun Kang(5), Tom F. Lue(4), Valay Agarawal(4), Giovanni Li Manni(3), Ignacio Fdez. Galván(3), Ali Alavi(3), Flavia Aleotti(3), Francesco Aquilante(3), Jochen Autschbach(3), Davide Avagliano(3)