SEPTEMBER 19, 2024 Journal Article Exploiting a derivative discontinuity estimate for accurate G0W0 ionization potentials and electron affinities ( Read More )
SEPTEMBER 19, 2024 Journal Article IsoForma: An R Package for Quantifying and Visualizing Positional Isomers in Top-Down LC-MS/MS Data ( Read More )
SEPTEMBER 19, 2024 Journal Article QC-GN2oMS2: a Graph Neural Net for High Resolution Mass Spectra Prediction ( Read More )
AUGUST 2, 2024 Journal Article Accelerating Computational Materials Discovery with Machine Learning and Cloud High-Performance Computing: from Large-Scale Screening to Experimental Validation ( Read More )
AUGUST 2, 2024 Journal Article Sources of Li Isotope Bias During SIMS Analysis of Standard Glasses ( Read More )
AUGUST 2, 2024 Journal Article Leveraging Curvature on N-Doped Carbon Materials for Hydrogen Storage ( Read More )
JULY 31, 2024 Journal Article DEIMoS GUI: An Open-Source User Interface for a High-Dimensional Mass Spectrometry Data Processing Tool ( Read More )
JULY 31, 2024 Journal Article Additive Molar Volumes in Amorphous Ca/Sr Carbonate Solid Solutions ( Read More )
JULY 31, 2024 Journal Article Computational tools and algorithms for ion mobility spectrometry-mass spectrometry ( Read More )
JULY 26, 2024 Journal Article Top-down mass spectrometry of native proteoforms and their complexes: A community study ( Read More )
JULY 26, 2024 Journal Article Assessing gas-phase ion reactivity of 50 elements with NO and the direct application for 239Pu in complex matrices using ICP-MS/MS ( Read More )
JULY 26, 2024 Journal Article Role of Surface Features on the Initial Dissolution of CH3NH3PbI3 Perovskite in Liquid Water: An Ab Initio Molecular Dynamics Study ( Read More )
JULY 26, 2024 Journal Article Tethered Balloon System and High-Resolution Mass Spectrometry Reveal Increased Organonitrates Aloft compared to Ground Level ( Read More )
JULY 26, 2024 Journal Article Atomistic Simulations for Investigation of Substrate and Salt Effects on Lipid In-Source Fragmentation in Secondary Ion Mass Spectrometry: A Follow-Up Study ( Read More )
MAY 14, 2024 Report ICP-MS For Analysis of Lithium Isotopic Ratios in Materials Highly Enriched in 7Li - CRADA 626 (Abstract) ( Read More )
MAY 10, 2024 Journal Article First principles simulations of MgO (100) surface hydration at ambient conditions ( Read More )
MAY 2, 2024 Journal Article A multi-collector ICP-MS method for quantification of plutonium, uranium, and americium in hair and nails of occupationally or medically exposed individuals ( Read More )
APRIL 30, 2024 Conference Paper FASDA: An FPGA-Aided, Scalable and Distributed Accelerator for Range-Limited Molecular Dynamics ( Read More )