Neepa T. Maitra

Rutgers, The State University of New Jersey — United States

Physics and Astronomy · Physical Sciences

36h-index5.7kcitations183works5.22yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(108), Advanced Chemical Physics Studies(98), Molecular Junctions and Nanostructures(24), Quantum, superfluid, helium dynamics(23), Photochemistry and Electron Transfer Studies(21)

Publications183 total

Harnessing dressed time-dependent density functional theory for the non-perturbative regime: Electron dynamics with double excitations
arXiv (Cornell University)·2025Open Access
Perspective on Many-Body Methods for Molecular Polaritonic Systems
Journal of Chemical Theory and Computation·2025· 3 citedOpen Access
Excited-State Densities from Time-Dependent Density Functional Response Theory
Journal of Chemical Theory and Computation·2025Open Access
Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics
The Journal of Physical Chemistry A·2025· 21 citedOpen Access
An Attention-based Cross-domain Framework for Effective Hand Gesture Recognition
2025
Excited State Densities from Time-Dependent Density Functional Response Theory
arXiv (Cornell University)·2025Open Access
Electron-Ion Dynamics with Time-Dependent Density Functional Theory: Towards Predictive Solar Cell Modeling
2025
Capturing the Elusive Curve-Crossing in Low-Lying States of Butadiene with Dressed TDDFT
The Journal of Physical Chemistry Letters·2025· 7 citedOpen Access
Electronic Coherences in Molecules: The Projected Nuclear Quantum Momentum as a Hidden Agent
Physical Review Letters·2024· 10 citedOpen Access
Capturing the elusive curve-crossing in low-lying states of butadiene with dressed TDDFT
arXiv (Cornell University)·2024Open Access
Exciting DeePMD: Learning excited-state energies, forces, and non-adiabatic couplings
The Journal of Chemical Physics·2024· 7 cited
Reformulation of Time-Dependent Density Functional Theory for Nonperturbative Dynamics: The Rabi Oscillation Problem Resolved
Physical Review Letters·2024· 8 citedOpen Access
Exciting DeePMD: Learning excited state energies, forces, and non-adiabatic couplings
arXiv (Cornell University)·2024Open Access
Electronic Coherences in Molecules: The Projected Nuclear Quantum Momentum as a Hidden Agent
arXiv (Cornell University)·2024· 3 citedOpen Access
Reformulation of Time-Dependent Density Functional Theory for Non-Perturbative Dynamics: The Rabi Oscillation Problem Resolved
arXiv (Cornell University)·2024Open Access
Exact-Factorization-Based Surface Hopping without Velocity Adjustment
The Journal of Physical Chemistry Letters·2024· 24 cited
Significance of energy conservation in coupled-trajectory approaches to non-adiabatic dynamics
2024Open Access
Nonadiabatic dynamics with classical trajectories: The problem of an initial coherent superposition of electronic states
The Journal of Chemical Physics·2024· 15 citedOpen Access
Exact-factorization-based surface-hopping without velocity adjustment
arXiv (Cornell University)·2024Open Access
Oscillator strengths and excited-state couplings for double excitations in time-dependent density functional theory
The Journal of Chemical Physics·2023· 10 citedOpen Access
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Frequent Co-authors

Kieron Burke(10), E. K. U. Gross(8), Johanna I. Fuks(8), Ali Abedi(6), Ángel Rubio(5), Peter Elliott(4), Lionel Lacombe(4), Federica Agostini(3), Yasumitsu Suzuki(3), Eric J. Heller(3), Fan Zhang(2), Robert J. Cave(2), Andrew M. Teale(2), Trygve Helgaker(2), Carlo Adamo(2), Bálint Aradi(2), Alexei V. Arbuznikov(2), Paul W. Ayers(2), Evert Jan Baerends(2), Vincenzo Barone(2)