Articles with "microscopic simulations" as a keyword



Microscopic Simulations of Electrochemical Double-Layer Capacitors

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Published in 2022 at "Chemical Reviews"

DOI: 10.1021/acs.chemrev.1c00925

Abstract: Electrochemical double-layer capacitors (EDLCs) are devices allowing the storage or production of electricity. They function through the adsorption of ions from an electrolyte on high-surface-area electrodes and are characterized by short charging/discharging times and long… read more here.

Keywords: double layer; electrochemical double; microscopic simulations; layer capacitors ... See more keywords

Blast in the one-dimensional cold gas: Comparison of microscopic simulations with hydrodynamic predictions

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Published in 2021 at "Physics of Fluids"

DOI: 10.1063/5.0058152

Abstract: We study the response of an infinite system of point particles on the line initially at rest to the instantaneous release of energy in a localized region. The blast generates shock waves, and we make… read more here.

Keywords: one dimensional; gas; microscopic simulations; blast one ... See more keywords

Full microscopic simulations uncover persistent quantum effects in primary photosynthesis.

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Published in 2025 at "Science advances"

DOI: 10.1126/sciadv.ady6751

Abstract: The presence of quantum effects in photosynthetic excitation energy transfer has been intensely debated over the past decade. Nonlinear spectroscopy cannot unambiguously distinguish coherent electronic dynamics from underdamped vibrational motion, and rigorous numerical simulations of… read more here.

Keywords: photosynthesis; microscopic; microscopic simulations; full microscopic ... See more keywords