Physical chemistry
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- Near-Field Engineering of Silica-Shelled Plasmonic Nanoparticles toward Enhanced Near-Infrared Fluorescence
- Distilling Large-Scale Machine Learning Interatomic Potentials to Predict Long-Timescale Electrolyte Transport Properties
- Development of a Deep Reinforcement Learning Approach for Transition State Search in Molecular Systems: A Transferable Model Across Structural and Dimensional Variations
- A Geometry-Induced Finite Warburg element for Reversible Diffusion Impedance at Microdisk Electrodes
- Reverse Quantum Annealing for Ground-State Energy Calculation in Molecule
- Tuning Thermal Memory and Dissipation in Colloidal Microgel Glasses via Particle Stiffness
- Unravelling carbene moiety role in the N-heterocyclic carbene-phosphinidenes coordination chemistry: bonding and reactivity in gold chemistry
- Solvent-induced memory effects in a model electrolyte
- First-principles calculations of far-wing absorption in He-broadened CO ₂ infrared spectra
- Grow, Compress, and Perturb: A Hybrid Quantum-Classical Pathway to Scalable Quantum Chemistry on Quantum Computers
- Automated plate-to-peptide protocol for mass spectrometry sample preparation
- A community audit of error control in crosslinking mass spectrometry
- Molecular Electrodynamic Relaxation in Dielectric and Plasmonic Cavities
- Mitigating Errors in Variational Quantum Eigensolver Calculations through Extended Random Phase Approximation
- The Ensemble Ghost Interaction in Fractional-Occupation Hartree-Fock: Occupation Covariance, Pair Rank, and Prescribed Ensembles of Determinants
- PolyDiscover: an integrated trust-aware platform for multi-objective polymer discovery and simulation validation
- Hydration Free Energies from Local Electronic Structures
- Cold Hypersonic Gas Jets for Precision Laser Spectroscopy of Radioactive Molecules
- Generative discovery of chemical reaction networks
- Uncertainty-Driven Self-Refinement of Adaptive Kolmogorov-Arnold Networks for Fitting Nonadiabatic Potential Energy Surface
- On the Spin Symmetry of Fractional-Occupation Mean-Field Approaches
- Quantum advantage by designing beneficial dissipation from lossless dynamics
- El Agente Quntur: Agentic Active-Space Selection for CASSCF
- Identification of Novel Plasma Protein Biomarkers for Early Clinical Stage Colorectal Carcinoma by High-Throughput Proteomics
- Dual-band scanned-wavelength infrared laser-induced fluorescence of CO with time-domain modeling for 1 kHz thermometry