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Diptarka Hait

Associate Research Scientist

Flatiron Institute

United States

Research Interests

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Articles (18)

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2026

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2026

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2023

Collaborators (15)

Matthias Kling

Professor and SRD Division Director at LCLS

SLAC National Accelerator Laboratory

UNITED STATES

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Charles Diesendruck

Professor

Technion - Israel Institute of Technology

ISRAEL

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John F. Hartwig

University of California

UNITED STATES

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Felix Allum

Deutsches Elektronen-Synchrotron DESY

GERMANY

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Kira Thurman

University of Oregon

UNITED STATES

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Paul Kempler

Assistant Professor

University of Oregon

UNITED STATES

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Leonardo dos Anjos Cunha

Assistant Professor

Bates College

UNITED STATES

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Kirk Larsen

Associate Staff Scientist

SLAC National Accelerator Laboratory

UNITED STATES

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Yusong Liu

Stanford University

UNITED STATES

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Martin Head-Gordon

University of California

UNITED STATES

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Andreas Erbs Hillers-Bendtsen

Stanford University

UNITED STATES

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Alice Green

Lecturer in Physical Chemistry / Chemical Physics

University of Edinburgh

UNITED KINGDOM

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Daniel M. Neumark

University of California

UNITED STATES

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Todd Martinez

Professor

SLAC National Accelerator Laboratory

UNITED STATES

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Xinxin Cheng

Staff Scientist

SLAC National Accelerator Laboratory

UNITED STATES

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Diptarka Hait

Research Interests

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Articles (18)

Elucidating Norrish type I reactive pathways by ultrafast X-ray absorption spectroscopy

The Force Awakens a Dormant Chemiluminescent Pathway in 1,2-Dioxetane

Complete Active Space Self-Consistent Field with GPU-Accelerated Density Fitting

Origins of the selectivity of late transition metals of Group 9 and Group 10 for oxidative addition of C–H vs. C–Cl bonds

Locating Ab Initio Transition States via Geodesic Construction on Machine-Learned Potential Energy Surfaces

Extending Orbital-Optimized Density Functional Theory to L-Edge XPS and Beyond: Spin–Orbit Coupling via Nonorthogonal Quasi-Degenerate Perturbation Theory

Understanding ion-transfer reactions in silver electrodissolution and electrodeposition from first-principles calculations and experiments

Measurement of coherent vibrational dynamics with X-ray Transient Absorption Spectroscopy simultaneously at the Carbon K- and Chlorine L2,3- edges

Extending GPU-accelerated Gaussian integrals in the TeraChem software package to f type orbitals: Implementation and applications

Attosecond Probing of Coherent Vibrational Dynamics in CBr4

Hydrogen ejection from hydrocarbons: Characterization and relevance in soot formation and interstellar chemistry.

Prediction of photodynamics of 200 nm excited cyclobutanone with linear response electronic structure and ab initio multiple spawning.

Predicting the X-ray Absorption Spectrum of Ozone with Single Configuration State Functions

Probing C–I bond fission in the UV photochemistry of 2-iodothiophene with core-to-valence transient absorption spectroscopy

Femtosecond symmetry breaking and coherent relaxation of methane cations via x-ray spectroscopy

When Is a Bond Broken? The Polarizability Perspective.

Say NO to Optimization: A Nonorthogonal Quantum Eigensolver

Ultrafast X-ray Spectroscopy of Intersystem Crossing in Hexafluoroacetylacetone: Chromophore Photophysics and Spectral Changes in the Face of Electron-Withdrawing Groups

Collaborators (15)

Matthias Kling

Charles Diesendruck

John F. Hartwig

Felix Allum

Kira Thurman

Paul Kempler

Leonardo dos Anjos Cunha

Kirk Larsen

Yusong Liu

Martin Head-Gordon

Andreas Erbs Hillers-Bendtsen

Alice Green

Daniel M. Neumark

Todd Martinez

Xinxin Cheng

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