News tagged with molecular dynamics simulation
A good nose: Researchers decipher interaction of fragrances and olfactory receptors
Banana, mango or apricot - telling these smells apart is no problem for the human nose. How the olfactory organ distinguishes such similar smells has been uncovered by an interdisciplinary team of German researchers at the ...
Chemistry / Analytical Chemistry
Dec 13, 2011 |
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Iodate refuses to intimidate
Like a bull in a china shop, a massive, iodine-based ion called iodate should disrupt the surrounding water molecules until it is forcibly expelled. However, it doesn't. This disconnect between the molecule's ...
Nov 08, 2011 |
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Catching molecular motion at just the right time
University of Oregon researchers have devised a mathematically rich analytic approach to account for often-missing thermodynamic and molecular parameters in molecular dynamic simulations.
Sep 21, 2011 |
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Water, water everywhere: Polarization dramatically affects H2O structure revealed through molecular dynamics simulation
(PhysOrg.com) -- Water is essential to more than its myriad roles in biological, chemical, geological, and other physical processes. Having a precise description of water’s structure is critical to con ...
Aug 30, 2011 |
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What a ride! Researchers take molecules for a spin (w/ Video)
(PhysOrg.com) -- Kolomeisky and Rice graduate student Alexey Akimov have taken a large step toward defining the behavior of these molecular whirligigs with a new paper in the American Chemical Society's Journal of Physical ...
Feb 01, 2011 |
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Simulations aim to unlock nature's process of biomineralization
A University of Akron researcher is leveraging advanced modeling and simulation techniques to more precisely understand how organic materials bond to inorganic materials, a natural phenomenon that if harnessed, ...
Dec 09, 2010 |
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Oscillating layers of molecules on liquid's surface influence carbon capture
Two tiny molecular layers in a liquid that traps carbon dioxide constantly swap places, influencing how much of the greenhouse gas is absorbed, according to scientists at Pacific Northwest National Laboratory, ...
Nov 22, 2010 |
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The Molecular Mechanics of Hearing and Deafness (w/ Video)
(PhysOrg.com) -- Our senses are essential for survival and for the exploration of natural environments, and much has been learned about the molecular basis of vision, olfaction, and taste. Yet only a few of ...
Apr 26, 2010 |
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New charging method could greatly reduce battery recharge time
(PhysOrg.com) -- Part of the headache of having to constantly recharge batteries is not just how often they need to be charged, but also the time it takes to charge them. In a new study, researchers have proposed ...
Mar 11, 2010 |
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Evidence of a new phase in liquid hydrogen
(PhysOrg.com) -- We like to think that we’ve got hydrogen, one of the most basic of elements, figured out. However, hydrogen can still surprise, especially once scientists start probing its properties on the ...
Feb 25, 2010 |
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Roadrunner supercomputer simulates nanoscale material failure
Very tiny wires, called nanowires, made from such metals as silver and gold, may play a crucial role as electrical or mechanical switches in the development of future-generation ultrasmall nanodevices.
Oct 29, 2009 |
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Measuring the Immeasurable: New Study Links Heat Transfer, Bond Strength of Materials
(PhysOrg.com) -- The speed at which heat moves between two materials touching each other is a potent indicator of how strongly they are bonded to each other, according to a new study by researchers at Rensselaer ...
Apr 13, 2009 |
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Water acts as catalyst in explosives
The most abundant material on Earth exhibits some unusual chemical properties when placed under extreme conditions.
Mar 20, 2009 |
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Simplicity is crucial to design optimization at nanoscale
MIT researchers who study the structure of protein-based materials with the aim of learning the key to their lightweight and robust strength have discovered that the particular arrangement of proteins that ...
Nanotechnology / Bio & Medicine
Feb 04, 2009 |
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Researchers See Complex Atomic Choreography as Crystals Melt
(PhysOrg.com) -- Conga lines of atoms wend their way through a crystal, their numbers growing as more and more atoms join the migration. The worm-like lines of atoms randomly converge, forming tangles that ...
Feb 02, 2009 |
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