Effects of surface wettability on (001)-WO3 and (100)-WSe2: A spin-polarized DFT-MD study

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The actinides possess a complex electronic structure, making their chemical and physical properties among the least understood in the periodic table. Advanced spectroscopic tools, able to obtain deep insights into the electronic structure and binding prope ...

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The remarkable adaptability observed in marine ecosystems has often inspired researchers when developing new soft materials. The research undertaken in this thesis explores how ion chelator pair interactions influence the mechanical properties of bioinspir ...

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Effects of surface wettability on (001)-WO3 and (100)-WSe2: A spin-polarized DFT-MD study

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Resonant inelastic X-ray scattering tools to count 5 f electrons of actinides and probe bond covalency

Constructing multicomponent cluster expansions with machine-learning and chemical embedding

Plasma-activated water retains antimicrobial properties against Escherichia coli after 72 h of storage

Confinement-Controlled Crystallization of Guanine

Large-cage occupation and quantum dynamics of hydrogen molecules in sII clathrate hydrates

The molecular scale mechanism of deposition ice nucleation on silver iodide

Modeling, design and economics of PEC devices

From Surfactants to 3D Printing: How Ion-Chelator Pair Interactions Affect the Mechanical Properties of Bioinspired Materials

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

From roots to canopy: Unraveling the influence of species diversity on tree water relations under warmer and drier climates

Gas/Surface reactions probed by reflection absorption infrared spectroscopy

Balancing computational chemistry's potential with its environmental impact

Liposomes and Lipid Droplets Display a Reversal of Charge-Induced Hydration Asymmetry

Solvation Free Energies from Machine Learning Molecular Dynamics

Atmospheric water harvesting in semi-arid regions by membranes: A techno-economic assessment

Estimating pollution spread in water networks as a Schrödinger bridge problem with partial information

Soil warming alters tree water use and canopy stomatal conductance in a mixed subtropical forest

Technical note: Two-component electrical-conductivity-based hydrograph separation employing an exponential mixing model (EXPECT) provides reliable high-temporal-resolution young water fraction estimates in three small Swiss catchments

Magnetism of Single Surface Adsorbed Atoms Studied with Radio-Frequency STM

Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin models