Articles with public access mandates - Maxim SecorLearn more
Not available anywhere: 3
Artificial neural networks as propagators in quantum dynamics
M Secor, AV Soudackov, S Hammes-Schiffer
The journal of physical chemistry letters 12 (43), 10654-10662, 2021
Mandates: US Department of Energy
Managing the redox potential of PCET in grotthuss-type proton wires
E Odella, M Secor, EA Reyes Cruz, WD Guerra, MN Urrutia, PA Liddell, ...
Journal of the American Chemical Society 144 (34), 15672-15679, 2022
Mandates: US Department of Energy
Density Matrix-Based Features as Descriptors for Oxygen Reduction and Evolution Catalysts
M Secor, AV Soudackov, S Hammes-Schiffer
The Journal of Physical Chemistry C 127 (31), 15246-15256, 2023
Mandates: US Department of Energy
Available somewhere: 6
Inhomogeneity of interfacial electric fields at vibrational probes on electrode surfaces
ZK Goldsmith, M Secor, S Hammes-Schiffer
ACS central science 6 (2), 304-311, 2020
Mandates: US Department of Defense
Role of intact hydrogen-bond networks in multiproton-coupled electron transfer
WD Guerra, E Odella, M Secor, JJ Goings, MN Urrutia, BL Wadsworth, ...
Journal of the American Chemical Society 142 (52), 21842-21851, 2020
Mandates: US Department of Energy
Artificial neural networks as mappings between proton potentials, wave functions, densities, and energy levels
M Secor, AV Soudackov, S Hammes-Schiffer
The journal of physical chemistry letters 12 (9), 2206-2212, 2021
Mandates: US Department of Energy, US National Institutes of Health
Isobaric molecular dynamics version of the generalized replica exchange method (gREM): Liquid–vapor equilibrium
E Małolepsza, M Secor, T Keyes
The Journal of Physical Chemistry B 119 (42), 13379-13384, 2015
Mandates: US Department of Energy
Multi PCET in symmetrically substituted benzimidazoles
E Odella, M Secor, M Elliott, TL Groy, TA Moore, S Hammes-Schiffer, ...
Chemical Science 12 (38), 12667-12675, 2021
Mandates: US Department of Energy
Spectroscopic Characterization of the Divalent Metal Docking Motif to Isolated Cyanobenzoate: Direct Observation of Tridentate Binding to ortho-Cyanobenzoate …
A Mohamed, SC Edington, M Secor, JR Breton, S Hammes-Schiffer, ...
The Journal of Physical Chemistry A 127 (6), 1413-1421, 2023
Mandates: US National Science Foundation, US Department of Energy, US Department of …
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