MAY 10, 2024 Journal Article Precisely Segmented PEEK-Ionene + Ionic Liquid Composite Membranes for CO2 Separation ( Read More )
MAY 10, 2024 Journal Article First principles simulations of MgO (100) surface hydration at ambient conditions ( Read More )
MAY 9, 2024 Journal Article A Versatile Pressure-cell design for studying ultrafast molecular-dynamics in supercritical fluids using coherent multi-pulse X-ray scattering ( Read More )
MAY 3, 2024 Journal Article Importance of Standard Terminology in Surface Chemical Analysis: ISO 18115-1:2023, General Terms and Terms used in Spectroscopy ( Read More )
APRIL 30, 2024 Conference Paper FASDA: An FPGA-Aided, Scalable and Distributed Accelerator for Range-Limited Molecular Dynamics ( Read More )
APRIL 26, 2024 Journal Article Managing reservoir dynamics when converting natural gas fields to underground hydrogen storage ( Read More )
APRIL 20, 2024 Conference Paper Enabling Scalable VQE Simulation on Leading HPC Systems ( Read More )
APRIL 20, 2024 Journal Article G0W0 Ionization Potentials of First-Row Transition Metal Aqua Ions ( Read More )
APRIL 20, 2024 Journal Article Cavity Quantum Electrodynamics Complete Active Space Configuration Interaction Theory ( Read More )
APRIL 17, 2024 Journal Article Oligosaccharide production and signaling correlate with delayed flowering in an Arabidopsis genotype grown and selected in high [CO2] ( Read More )
APRIL 17, 2024 Journal Article Integrated quantum-classical protocol for the realistic description of solvated multinuclear mixed-valence transition-metal complexes and their solvatochromic properties ( Read More )
APRIL 17, 2024 Journal Article Helping the climate by replacing liquefied natural gas with liquefied hydrogen or ammonia? ( Read More )
APRIL 13, 2024 Journal Article Observation of a super-tetrahedral cluster of acetonitrile-solvated dodecaborate dianion via dihydrogen bonding ( Read More )
APRIL 13, 2024 Journal Article Organic Molecules Mimic Alkali Metals Enabling Spontaneous Harpoon Reactions with Halogens ( Read More )
APRIL 13, 2024 Journal Article Development and Application of Hybrid AIMD/cDFT Simulations for Atomic-to-Mesoscale Chemistry ( Read More )
APRIL 12, 2024 Journal Article In-house synthesized poly(ether ether ketone) ionenes. II. ToF-SIMS spectra in the negative ion mode ( Read More )
APRIL 12, 2024 Journal Article In-house Synthesized Poly(ether ether ketone) Ionenes. I. ToF-SIMS spectra in the positive ion mode ( Read More )
APRIL 10, 2024 Journal Article 3D Quantification of Pore Networks and Anthropogenic Carbon Mineralization in Stacked Basalt Reservoirs ( Read More )
MARCH 30, 2024 Journal Article Probing Local Optical Fields via Ultralow Frequency Raman Scattering from a Corrugated Probe ( Read More )