Computational Quantum Chemical Studies on Radicals : from the Gas Phase to Aqueous Solution

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Computational Quantum Chemical Studies on Radicals : from the Gas Phase to Aqueous Solution

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Quantum Error Correction and Simulation in Open Bosonic Systems

Electron-beam based nanoscale quantum controls

Augmenting large language models with chemistry tools

Oxidative Defect Detection Within Free and Packed DNA Systems: A Quantum Mechanical/Molecular Mechanics (QM/ MM) Approach

Dual-frame optimization for informationally complete quantum measurements

The molecular scale mechanism of deposition ice nucleation on silver iodide

Three-wave-mixing quantum-limited kinetic inductance parametric amplifier operating at 6 T near 1 K

Orbital-Resolved DFT plus U for Molecules and Solids

High-order geometric integrators for the variational Gaussian wavepacket dynamics and application to vibronic spectra at finite temperature

Scanning Tunneling Microscopy for Molecules: Effects of Electron Propagation into Vacuum

Thermal conductivity of Li 3 PS 4 solid electrolytes with ab initio accuracy

Hybrid ground-state quantum algorithms based on neural Schrödinger forging

Biobased Composites from Eugenol- and Coumarin-Derived Methacrylic Latex and Hemp Nanocellulose: Cross-Linking via [2+2] Photocycloaddition and Barrier Properties

Scalable Quantum Algorithms for Noisy Quantum Computers

Controlling On-Surface Photoactivity: The Impact of π-Conjugation in Anhydride-Functionalized Molecules on a Semiconductor Surface