108 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Lawrence Berkeley National LaboratoryUS14 papers
- University of California SystemUS12 papers
- Berkeley CollegeUS6 papers
- University of California, BerkeleyUS6 papers
- University of Colorado BoulderUS3 papers
- Foundry (United Kingdom)GB2 papers
- Fritz Haber Institute of the Max Planck SocietyDE2 papers
- Graduate School USAUS2 papers
- Helmholtz-Zentrum Berlin für Materialien und EnergieDE2 papers
- Kavli Energy NanoScience InstituteUS2 papers
- Kyoto UniversityJP2 papers
- Max Planck Institute for Nuclear PhysicsDE2 papers
9 papers · 1 filter
Different Rise Times of Atomic Br M 3d Core Level Absorptions during Br C State Dissociation via Extreme Ultraviolet Transient Absorption Spectroscopy
John E. Beetar, Jen-Hao Ou, Yuki Kobayashi +1
The reported ''dissociation times'' for the Br C ( ) state by various measurement methods differ widely across the literature (30 to 340 fs). We consider th…
Nonadiabatic force matching for alchemical free-energy estimation
Jorge L. Rosa-Raíces, David T. Limmer
We propose a method to compute free-energy differences from nonadiabatic alchemical transformations using flow-based generative models. The method, nonadiabatic force matching, hin…
Reducing the Cost of Energy Differences in Variational Monte Carlo with Spotlight Sampling
Sonja Bumann, Eric Neuscamman
We investigate an approximate sampling scheme that can significantly reduce the cost scaling of variational Monte Carlo when it is employed to predict the energy differences associ…
Interplay between ultrafast electronic and librational dynamics in liquid nitrobenzene probed with two-color four-wave mixing
Niranjan Shivaram, Richard Thurston, Ali Belkacem +3
We present an experimental and theoretical study of the interplay between ultrafast electron dynamics and librational dynamics in liquid nitrobenzene. A femtosecond ultraviolet pul…
Adsorption of Guanidinium Cations to the Air-Water Interface
Franky Bernal, Amro Dodin, Constantine Kyprianou +2
Combining Deep-UV second harmonic generation spectroscopy with molecular simulations, we confirm and quantify the specific adsorption of guanidinium cations to the air-water interf…
Accurate Vertical Ionization Energy and Work Function Determinations of Liquid Water and Aqueous Solutions
Stephan Thürmer, Sebastian Malerz, Florian Trinter +6
The absolute-scale electronic energetics of liquid water and aqueous solutions, both in the bulk and at associated interfaces, are the central determiners of water-based chemistry.…
Low-energy constraints on photoelectron spectra measured from liquid water and aqueous solutions
Sebastian Malerz, Florian Trinter, Uwe Hergenhahn +14
We report on the effects of electron collision and indirect ionization processes, occurring at photoexcitation and electron kinetic energies well below 30 eV on the photoemission s…
A Non-Perturbative Pairwise-Additive Analysis of Charge Transfer Contributions to Intermolecular Interaction Energies
Srimukh Prasad Veccham, Joonho Lee, Yuezhi Mao +2
Energy decomposition analysis (EDA) based on absolutely localized molecular orbitals (ALMOs) decomposes the interaction energy between molecules into physically interpretable compo…
Distinguishing Artificial and Essential Symmetry Breaking in a Single Determinant: Approach and Application to the C, C, and C Fullerenes
Joonho Lee, Martin Head-Gordon
We present a thorough analysis of symmetry breaking observed in Hartree-Fock (HF) solutions of fullerenes C, C, and C in order to characterize the nature of el…