Joseph E. Subotnik

Princeton University — United States

Physics and Astronomy · Physical Sciences

49h-index14.8kcitations274works3.02yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(169), Advanced Chemical Physics Studies(124), Molecular Junctions and Nanostructures(78), Photochemistry and Electron Transfer Studies(44), Quantum and electron transport phenomena(43)

Publications272 total

Fast methods for multisite charge transfer processes. I. Constrained, state averaged CASSCF(1,n) and CASSCF(2n − 1,n) simulations
The Journal of Chemical Physics·2025· 1 cited
Fast methods for multisite charge transfer. Processes II. Analytic nuclear gradients and nonadiabatic dynamics for cCASSCF(1,n) and cCASSCF(2n-1,n) wavefunctions
The Journal of Chemical Physics·2025· 1 cited
Rectification of vibrational energy transfer in driven chiral molecules
The Journal of Chemical Physics·2025
Phase Space Electronic Structure Theory: From Diatomic Lambda-Doubling to Macroscopic Einstein-de Haas
arXiv (Cornell University)·2025Open Access
Protein and Solvent Reorganization Drives Radical Pair Stability in Avian Cryptochrome 4a
Journal of the American Chemical Society·2025· 2 citedOpen Access
Non-Resonant Raman Optical Activity From Phase-Space Electronic Structure Theory
ArXiv.org·2025Open Access
An extremely efficient algorithm for (2,2) dynamically weighted constrained complete active space calculations
The Journal of Chemical Physics·2025
Marcus Theory and The Condon Approximation Revisited I: E-SHAKE and Seam Sampling
arXiv (Cornell University)·2025Open Access
Recovering Exact Vibrational Energies within a Phase Space Electronic Structure Framework
Journal of Chemical Theory and Computation·2025· 1 cited
Erratum: “A basis-free phase space electronic Hamiltonian that recovers beyond Born–Oppenheimer electronic momentum and current density” [J. Chem. Phys. 162, 144111 (2025)]
The Journal of Chemical Physics·2025Open Access
Fast Methods For Multisite Charge Transfer Processes I: Constrained, State Averaged CASSCF(1,M) and CASSCF(2M-1,M) Simulations
arXiv (Cornell University)·2025Open Access
Fast Methods For Multisite Charge Transfer Processes II: Analytic Nuclear Gradients and Nonadiabatic Dynamics For cCASSCF(1,M) and cCASSCF(2M-1,M) Wavefunctions
arXiv (Cornell University)·2025Open Access
A Theory of Ultrafast Charge Transfer Relaxation with Non-Innocent Solvent Molecules
Journal of Chemical Theory and Computation·2025
Conical Intersections and Electronic Momentum as Viewed from Phase Space Electronic Structure Theory
The Journal of Physical Chemistry Letters·2025· 2 cited
Nuclear Angular Momentum Generation in Thermally Driven Chiral Systems
arXiv (Cornell University)·2025Open Access
Correction to “A Phase-Space View of Vibrational Energies without the Born–Oppenheimer Framework”
Journal of Chemical Theory and Computation·2025
Evaluating the gradients of localized diabatic state energies and couplings at minimum cost
The Journal of Chemical Physics·2025· 2 cited
Chiral vibrational modes in small molecules
The Journal of Chemical Physics·2025· 3 cited
The role of quantum vibronic effects in the spin polarization of charge transport through molecular junctions
The Journal of Chemical Physics·2025· 1 citedOpen Access
Symmetry breaking as predicted by a phase space Hamiltonian with a spin Coriolis potential
The Journal of Chemical Physics·2025· 6 cited
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Frequent Co-authors

Abraham Nitzan(8), Wenjie Dou(8), Martin Head‐Gordon(7), Brian R. Landry(6), Ethan Alguire(6), Alexander J. Sodt(5), Neil Shenvi(5), Qi Ou(5), Yihan Shao(4), Mark A. Ratner(4), Tao E. Li(3), Shervin Fatehi(3), Ryan P. Steele(2), Anthony D. Dutoi(2), WanZhen Liang(2), Amber Jain(2), Wenjun Ouyang(2), Nicole Bellonzi(2), Robert J. Cave(2), Weitao Yang(2)