Sentences with phrase «atomic scale simulations»

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They used this novel simulation approach to build a model of a sperm cell that demonstrates cellular movement from individual dynein protein molecules in the tail all the way up to the whole cell, allowing them to observe how changes at the atomic level are reflected in larger - scale structures.

Water's behavior was tested with three different approaches: ultrafast optical measurements, which revealed the arrangement of molecules on the nanometric scale; a computer simulation on the atomic scale; and measurement of the water's surface structure and tension, which was done at the macroscopic level.

Molecular dynamics (MD) simulations are widely used to study protein motions at an atomic level of detail, but they have been limited to time scales shorter than those of many biologically critical conformational changes.

Published in ACS Nano, a journal of the American Chemical Society, the study coupled atomic - scale characterization and electrical property measurements with theory - based simulation.

Professor Steve Bramwell of the LCN said: «Onsager's Wien effect is of practical importance and contains beautiful physics: with computer simulations we can finally explore and expose its secrets at the atomic scale.

Our work would allow large - scale quantum information processing and quantum simulation on nuclear spin qubits, as well as atomic - scale imaging for biomolecules.