FEBRUARY 15, 2024 Journal Article Electric-Field-Induced Assembly of an Ionic Liquid-Water Interphase Enables Efficient Heavy Metal Electrosorption ( Read More )
FEBRUARY 15, 2024 Journal Article A Perspective on Sustainable Computational Chemistry Software Development and Integration ( Read More )
FEBRUARY 15, 2024 Journal Article Interfacial bond characterization of epoxy adhesives to aluminum alloy and carbon fiber-reinforced polyamide by vibrational spectroscopy ( Read More )
FEBRUARY 15, 2024 Journal Article Refined views of ancient ocean chemistry: Tracking trace element incorporation in pyrite framboids using atom probe tomography ( 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 Binding of Radionuclides and Surrogate to 18-Crown-6 Ether by Density Functional Theory ( Read More )
OCTOBER 25, 2023 Journal Article Quantifying the impact of electric fields on the local structure and migration of potassium ions at the orthoclase (001) surface ( Read More )
OCTOBER 20, 2023 Journal Article Predicting outcomes of nanoparticle attachment by connecting atomistic, interfacial, particle, and aggregate scales ( Read More )
OCTOBER 18, 2023 Journal Article Investigating Electrochemical Corrosion at Mg Alloy-Steel Joint Interface Using Scanning Electrochemical Cell Impedance Microscopy (SECCIM) ( Read More )
OCTOBER 10, 2023 Report Graman: Graph Network Based Simulator for Forecasting Molecular Polarizability ( Read More )
SEPTEMBER 22, 2023 Report Ab Initio Simulations of Tritium Diffusion in Al2O and Intermetallic Al12(TM)2.34 Aluminide Coating Phases ( Read More )
SEPTEMBER 14, 2023 Journal Article A Combined Wave Function and Density Functional Approach for K-Edge X-ray Absorption Near-Edge Spectroscopy: A Case Study of Hydrated First-Row Transition Metal Ions ( Read More )
AUGUST 17, 2023 Journal Article Mass transport in a highly immiscible alloy on extended shear deformation ( Read More )
JUNE 30, 2023 Journal Article Ab initio Simulations of Tritium Diffusion in Al-rich Iron Aluminide Coating Phases ( Read More )
JUNE 28, 2023 Journal Article Ion Soft Landing: A Unique Tool for Understanding Electrochemical Processes ( Read More )
JUNE 23, 2023 Report First-Principles Study of Tritium Trapping by Point Defects in Fe-Al Aluminide Coating Phases ( Read More )