167 citations · 566 across the 17 of their papers we have counts for
11 papers · 1 filter
Accurate Prediction of Chemical Shifts for Aqueous Protein Structure for "Real World" Cases using Machine Learning
Jie Li, Kochise C. Bennett, Yuchen Liu +2
Accurate prediction of NMR chemical shifts can in principle help refine aqueous solution structure of proteins to the quality of X-ray structures. We report a new machine learning…
A Multi-Resolution 3D-DenseNet for Chemical Shift Prediction in NMR Crystallography
Shuai Liu, Jie Li, Kochise C. Bennett +6
We have developed a deep learning algorithm for chemical shift prediction for atoms in molecular crystals that utilizes an atom-centered Gaussian density model for the 3D data repr…
Strong Anisotropy in Liquid Water upon Librational Excitation using Terahertz Laser Fields
Fabio Novelli, Luis Ruiz Pestana, Kochise C. Bennett +9
Tracking the excitation of water molecules in the homogeneous liquid is challenging due to the ultrafast dissipation of rotational excitation energy through the hydrogen-bonded net…
X-Ray sum frequency generation; direct imaging of ultrafast electron dynamics
Jérémy R. Rouxel, Markus Kowalewski, Kochise Bennett +1
X-ray diffraction from molecules in the ground state produces an image of their charge density, and time-resolved X-ray diffraction can thus monitor the motion of the nuclei. Howev…
Monitoring Nonadiabatic Avoided Crossing Dynamics in Molecules by Ultrafast X-Ray Diffraction
Markus Kowalewski, Kochise Bennett, Shaul Mukamel
We examine time-resolved X-ray diffraction from molecules in the gas phase which undergo nonadiabatic avoided-crossing dynamics involving strongly coupled electrons and nuclei. Sev…
Comment on "Self-Referenced Coherent Diffraction X-Ray Movie of Ångstrom- and Femtosecond-Scale Atomic Motion"
Kochise Bennett, Markus Kowalewski, Shaul Mukamel
This submission is a comment on an article that had previously appeared in Phys. Rev. Lett.
Heterodyne-Detected Ultrafast X-Ray Diffraction and Scattering from Nonstationary States
Kochise Bennett, Markus Kowalewski, Shaul Mukamel
Free-electron laser hard X-ray light sources can provide high fluence, femtosecond pulses, enabling the time-resolved probing of structural dynamics and elementary relaxation proce…
Monitoring Nonadiabatic Electron-Nuclear Dynamics in Molecules by Attosecond Streaking of Photoelectrons
Markus Kowalewski, Kochise Bennett, Jérémy R. Rouxel +1
Streaking of photoelectrons has long been used for the temporal characterization of attosecond extreme ultraviolet pulses. When the time-resolved photoelectrons originate from a co…
Catching Conical Intersections in the Act; Monitoring Transient Electronic Coherences by Attosecond Stimulated X-Ray Raman Signals
Markus Kowalewski, Kochise Bennett, Konstantin E. Dorfman +1
Conical intersections (CoIn) dominate the pathways and outcomes of virtually all photophysical and photochemical molecular processes. Despite extensive experimental and theoretical…
Detecting Electronic Coherence by Multidimensional Broadband Stimulated X-Ray Raman Signals
Konstantin E. Dorfman, Kochise Bennett, Shaul Mukamel
Nonstationary molecular states which contain electronic coherences can be impulsively created and manipulated by using recently-developed ultrashort optical and X-ray pulses via ph…
Time-, Frequency-, and Wavevector-Resolved X-Ray Diffraction from Single Molecules
Kochise Bennett, Jason D. Biggs, Yu Zhang +2
Using a quantum electrodynamic framework, we calculate the off-resonant scattering of a broad-band X-ray pulse from a sample initially prepared in an arbitrary superposition of ele…