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Equilibrium sampling is at the core of computational thermodynamics, aiding our understanding of various phenomena in the natural sciences including phase coexistence, molecular solvation, and protein folding. Despite the ...

Many biological and physiological processes depend upon directed migration of cells, which is typically mediated by chemical or physical gradients. However, conventional chemical or physical gradients have finite dynamic ...

Time-resolved optical Kerr effect (OKE) spectroscopy is an established tech-nique for studying the orientational dynamics of liquids. The reduced spectral density (RSD) obtained from transforming the OKE spectrum into the ...

Facile photorelease of carboxylic acids is performed through charge-transfer excitation of N-methyl-4-picolinium iodide esters. Photolysis reactions are carried out under mild, biphasic solvent conditions using a household ...

The Born-Oppenheimer approximation, which allows a decoupling of electronic and nuclear motion, underlies the investigation of molecular dynamics. In some cases this decoupling is not possible, so that nuclear motion can ...

Traditional organic chemistry has long been dominated by ground state thermal reactions. The alternative to this is excited state chemistry, which uses light to drive chemical transformations. There is considerable interest ...

Carbon nanotubes exhibit exceptional properties in many different aspects. However, harnessing those properties in real applications is challenging mainly due to the structural heterogeneity, high impurity contents, and ...