FEBRUARY 16, 2024 Journal Article Subnanometer Visualization of Spatially Varying Local Field Resonances that Drive Tip-Enhanced Optical Spectroscopy ( Read More )
FEBRUARY 16, 2024 Journal Article The Microwave Spectra of the Conformers of n-Butyl Nitrate ( Read More )
FEBRUARY 15, 2024 Journal Article The Evolution of Solvation Symmetry and Composition in Zn Halide Aqueous Solutions from Dilute to Extreme Concentrations ( Read More )
FEBRUARY 15, 2024 Journal Article Revealing Excited State Trajectories on Potential Energy Surfaces with Atomic Resolution in Real Time ( Read More )
FEBRUARY 15, 2024 Journal Article Exploring NaCl-PuCl3 Molten Salts with Machine Learning Interatomic Potentials and Graph Theory ( Read More )
FEBRUARY 15, 2024 Journal Article Elucidating the Water-Anatase TiO2(101) Interface Structure Using Infrared Signatures and Molecular Dynamics ( Read More )
FEBRUARY 15, 2024 Book Chapter Harness the power of atomistic modeling and deep learning in biofuel separation ( Read More )
FEBRUARY 15, 2024 Journal Article Dynamical electron correlation and the chemical bond. II. Recoupled pair bonds in the a4 - states of CH and CF ( Read More )
FEBRUARY 15, 2024 Journal Article Physics-informed machine learning of the correlation functions in bulk fluids ( Read More )
NOVEMBER 10, 2023 Journal Article Metal-organic framework supported single-site nickel catalysts for butene dimerization ( Read More )
OCTOBER 26, 2023 Journal Article A parallel, distributed memory implementation of the adaptive sampling configuration interaction method ( Read More )
OCTOBER 14, 2023 Journal Article Synthesis and Thermophysical Property Determination of NaCl-PuCl3 Salts ( Read More )
OCTOBER 14, 2023 Conference Paper Comparison of methods to derive infrared optical constants for organic materials for optical modeling ( Read More )
OCTOBER 14, 2023 Journal Article Structural relaxation of water during rapid cooling from ambient temperatures ( Read More )
OCTOBER 14, 2023 Journal Article Beyond Duality: Rationalizing Repulsive Coulomb Barriers in Host-Guest Cyclodextrin-Dodecaborate Complexes ( Read More )
OCTOBER 14, 2023 Journal Article Development of a Systematic and Extensible Force Field for Peptoids (STEPs) ( Read More )