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Machine-learning accelerated geometry optimization in molecular simulation
American Institute of Physics | 2021|Schlagwörter: Materials, Surfaces, and Interfaces -
Electric field-induced gas dissolving in aqueous solutions
American Institute of Physics | 2021|Schlagwörter: Materials, Surfaces, and Interfaces -
Effect of the metallicity on the capacitance of gold–aqueous sodium chloride interfaces
American Institute of Physics | 2021|Schlagwörter: Materials, Surfaces, and Interfaces -
Ab initio structure and thermodynamics of the RPBE-D3 water/vapor interface by neural-network molecular dynamics
Freier ZugriffAmerican Institute of Physics | 2020|Schlagwörter: Materials, Surfaces, and Interfaces -
Demystifying the Stern layer at a metal–electrolyte interface: Local dielectric constant, specific ion adsorption, and partial charge transfer
American Institute of Physics | 2021|Schlagwörter: Materials, Surfaces, and Interfaces -
Charge transfer from Eu2+ to trivalent lanthanide co-dopants: Systematic behavior across the series
American Institute of Physics | 2021|Schlagwörter: Materials, Surfaces, and Interfaces -
Amide-based deep eutectic solvents containing LiFSI and NaFSI salts as superionic electrolytes for supercapacitor applications
American Institute of Physics | 2021|Schlagwörter: Materials, Surfaces, and Interfaces -
Size-dependent dark exciton properties in cesium lead halide perovskite quantum dots
American Institute of Physics | 2020|Schlagwörter: Materials, Surfaces, and Interfaces -
X-ray diffraction and equation of state of the C–S–H room-temperature superconductor
American Institute of Physics | 2021|Schlagwörter: Materials, Surfaces, and Interfaces -
Microdroplets can act as electrochemical cells
American Institute of Physics | 2022|Schlagwörter: Materials, Surfaces, and Interfaces -
Understanding the chemical contribution to the enhancement mechanism in SERS: Connection with Hammett parameters
American Institute of Physics | 2020|Schlagwörter: Materials, Surfaces, and Interfaces -
Interdependence of photon upconversion performance and antisolvent processing in thin-film halide perovskite-sensitized triplet–triplet annihilators
American Institute of Physics | 2020|Schlagwörter: Materials, Surfaces, and Interfaces -
Covalency in Fe2O3 and FeO: Consequences for XPS satellite intensity
American Institute of Physics | 2020|Schlagwörter: Materials, Surfaces, and Interfaces -
Computational discovery of stable and metastable ternary oxynitrides
American Institute of Physics | 2021|Schlagwörter: Materials, Surfaces, and Interfaces -
A first-principles Quantum Monte Carlo study of two-dimensional (2D) GaSe
American Institute of Physics | 2020|Schlagwörter: Materials, Surfaces, and Interfaces -
Intramolecular-rotation driven triplet-to-singlet upconversion and fluctuation induced fluorescence activation in linearly connected donor–acceptor molecules
American Institute of Physics | 2020|Schlagwörter: Materials, Surfaces, and Interfaces -
Fundamental gap of fluorographene by many-body GW and fixed-node diffusion Monte Carlo methods
American Institute of Physics | 2020|Schlagwörter: Materials, Surfaces, and Interfaces -
On the size-dependence of CdSe nanocrystals for photon upconversion with anthracene
American Institute of Physics | 2020|Schlagwörter: Materials, Surfaces, and Interfaces -
Nanoscale characterization of plasma functionalized graphitic flakes using tip-enhanced Raman spectroscopy
American Institute of Physics | 2020|Schlagwörter: Materials, Surfaces, and Interfaces -
Untargeted effects in organic exciton–polariton transient spectroscopy: A cautionary tale
American Institute of Physics | 2021|Schlagwörter: Materials, Surfaces, and Interfaces
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