Chemistry
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- The Shape of Stability: Processing History and Functional Response in Thermosets, with a Focus on Filled Epoxies
- Nanolignin and Nanochitin as Skin-Friendly Biopolymer Carriers for Innovative Cosme-Nutraceuticals: A Review
- Effects of a Heating System on Waste Plastic Pyrolysis in a Fixed-Bed Reactor
- Modeling and Experimental Validation of Bubble-Induced Performance Losses in Microstructured Copper Electrodes for Alkaline Water Electrolysis
- Restrained Diffusion Bridges: Targeted Denoiser Training and Refinement
- Valence-Selective Electrophoretic Transport in Neutral Carbon Nanotubes
- Parameterisation of NMC and LFP 4680 cells for electrochemical and thermal modelling
- Optimal Control of Chemical Reaction Networks with Thermodynamic Cost
- An Electrolyte Equation of State Based on openCOSMO-RS: From Aqueous Solutions to Non-Aqueous Systems
- Energy Transfer and Strong Coupling in Plasmonic Systems
- Graph-Covariant Bottom-Up Scale-Bridging Reconstruction of Ground and Excited States of Extended Systems
- Before the First Bond: Depletion-Assisted Stochastic Capture at the Onset of Endocytosis
- From First Bond to Stable Adhesion: Multivalent Bond Stabilization in Receptor-Mediated Endocytosis
- Density functionals for the Pauli-Fierz Hamiltonian
- Extended Onsager's variational principle for nonlinear chemical reaction kinetics in active matter
- Optimally Weighted Constrained Shadow Tomography for Reduced Density Matrices
- ROSE: Deep Learning exchange-correlation functional from reduced density-matrix representations
- Quantum algorithm for weakly correlated molecular electronic ground states with sub-quintic scaling in the system size
- PeptSol: A Translational Benchmark for Protected-Peptide Solubility in Drug Manufacturing
- PLUMED-JAX: GPU-native enhanced sampling for atomistic simulations
- Simple algorithm for evaluating SU(2) non-abelian geometric phase in the vicinity of molecular conical intersection of odd electron number
- Molecular conical intersections with odd electron number are realizations of the topological Yang monopole
- VESPER: Online Learning of Free Energies with a Multi-Tempered Variational Objective
- Dysfunctional Functionals and their Therapies in Time-Dependent Density Functional Theory
- Impact of Surface Preparation on the Propulsion of Catalytic Janus Colloids and Implications for Reproducibility