JUNE 30, 2023 Journal Article Ab initio Simulations of Tritium Diffusion in Al-rich Iron Aluminide Coating Phases ( Read More )
JUNE 23, 2023 Journal Article Disentangling the Confounding Spectroscopy of C1 Molecules: Without Symmetry as a Guide, Everything is Allowed ( Read More )
JUNE 23, 2023 Report First-Principles Study of Tritium Trapping by Point Defects in Fe-Al Aluminide Coating Phases ( Read More )
JUNE 23, 2023 Journal Article Revealing core-valence interactions in solution with femtosecond X-ray pump X-ray probe spectroscopy ( Read More )
JUNE 22, 2023 Journal Article Symmetry Breaking with the SCAN Density Functional Describes Strong Correlation in the Singlet Carbon Dimer ( Read More )
JUNE 11, 2023 Report Autonomous measurements of carbon dioxide uptake in a blue carbon habitat ( Read More )
JUNE 11, 2023 Journal Article Isotope effects in the Zundel-Eigen Isomerization of H+(H2O)6 ( Read More )
MAY 5, 2023 Journal Article Electric Field Effects on Water and Ion Structure and Diffusion at the Orthoclase (001)–Water Interface ( Read More )
APRIL 11, 2023 Journal Article High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation ( Read More )
APRIL 1, 2023 Conference Paper COUPLING SMOOTHED PARTICLE HYDRODYNAMICS WITH FINITE ELEMENT METHOD TO SIMULATE RESIDUAL STRESSES FROM FRICTION STIR PROCESSING ( Read More )
MARCH 23, 2023 Journal Article Active Sampling for Neural Network Potentials: Accelerated Simulations of Shear-induced Deformation in Cu-Ni Multilayers ( Read More )
FEBRUARY 18, 2023 Journal Article An initial investigation of accuracy required for the identifcation of small molecules in complex samples using quantum chemical calculated NMR chemical shifts ( Read More )
JANUARY 20, 2023 Journal Article Fock-space Schrieffer-Wolff transformation: classically-assisted rank-reduced quantum phase estimation algorithm. ( Read More )
JANUARY 13, 2023 Journal Article Pore-scale Microenvironments Control Anthropogenic Carbon Mineralization Outcomes in Basalt ( Read More )
JANUARY 13, 2023 Journal Article Activation Energy of Magnesite (MgCO3) Precipitation: Recent Insights from Olivine Carbonation Studies ( Read More )
NOVEMBER 2, 2022 Journal Article Exotic Carbonate Mineralization Recovered from a Deep Basalt Carbon Storage Demonstration ( Read More )
OCTOBER 21, 2022 Journal Article Nanoconfinement Matters in Humidified CO2 Interaction with Metal Silicates ( Read More )
FEBRUARY 23, 2022 Report NRAP-Open-IAM: Generic Aquifer Component Development and Testing ( Read More )