Editorial: Quantum Information and Quantum Computing for Chemical Systems
Frontiers in Physics, 2021 Sabre Kais +5 more
doaj +1 more source
Determination and Validation of Standard Enthalpies of Formation and Sublimation of Potassium Salts Using Solution Calorimetry and Quantum-Chemical Calculations. [PDF]
ChemistryOpenAmanollahi Z +4 more
europepmc +1 more source
Trap‐Assisted Transport and Neuromorphic Plasticity in Lead‐Free 2D Perovskites PEA2SnI4
Advanced Functional Materials, EarlyView.An artificial retina built from lead‐free layered perovskite (PEA)2SnI4 converts light input into a persistent photocurrent and sums successive flashes over time. Micro/nanocrystals integrated on electrodes act as synapse‐like pixels that perform temporal integration directly in hardware. This in‐sensor preprocessing merges detection and computation on
Ofelia Durante +17 more
wiley +1 more source
How quantum-chemical geometry optimization level affects classical 3D descriptors and QSAR performance: a comparative study. [PDF]
J CheminformLi J, Gu R, Du S, Xu L.
europepmc +1 more source
Advanced Functional Materials, EarlyView.Strong exciton‐photon coupling is achieved by integrating porphyrin ligand‐based MOF nanoparticles in optical cavities, as evidenced by pronounced polariton branch anticrossing. The porous nature of the resonator enables precise, reversible tuning via vapor pressure, unlocking unprecedented chemical‐environment controlled dynamic polaritonic platforms ...
Beatriz de Sola‐Báez +7 more
wiley +1 more source
Germanium in Carbon Fullerenes: Quantum-Chemical Insights into Substitution, Adsorption, and Encapsulation Phenomena. [PDF]
Int J Mol SciZielińska-Pisklak M +3 more
europepmc +1 more source
Imaging of Biphoton States: Fundamentals and Applications
Advanced Functional Materials, EarlyView.Quantum states of two photons exhibit a rich polarization and spatial structure, which provides a fundamental resource of strongly correlated and entangled states. This review analyzes the physics of these intriguing properties and explores the various techniques and technologies available to measure them, including the state of the art of their ...
Alessio D'Errico, Ebrahim Karimi
wiley +1 more source
The Role of the Electronic Structure during Protein Folding through Electron Density-Based Quantum Chemical Descriptors. [PDF]
ACS OmegaRocha-Santos A +3 more
europepmc +1 more source
Mapping Nanoscale Buckling in Atomically Thin Cr2Ge2Te6
Advanced Functional Materials, EarlyView.Atomic‐resolution STEM is used to resolve nanoscale buckling in monolayer Cr2Ge2Te₆. A noise‐robust image analysis reconstructs three‐dimensional lattice distortions from single plan‐view images, revealing pronounced defect‐driven nm‐scale out‐of‐plane buckling.
Amy Carl +20 more
wiley +1 more source
CO<sub>2</sub> Utilization through Reaction with Alcohols: A Quantum Chemical Study. [PDF]
Ind Eng Chem ResBleken FL, Jens KJ, Solli KA, Swang O.
europepmc +1 more source