Water, water everywhere: Polarization dramatically affects H2O structure revealed through molecular dynamics simulation
Evidence of a new phase in liquid hydrogen
Local icosahedral order in metallic glasses
It's complicated: Hidden protein folding complexity revealed by simple Markov state models
The self-improvement of lithium-ion batteries
(Phys.org)—The search for clean and green energy in the 21st century requires a better and more efficient battery technology. The key to attaining that goal may lie in designing and building batteries not ...
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 ...
New charging method could greatly reduce battery recharge time
Water acts as catalyst in explosives
The most abundant material on Earth exhibits some unusual chemical properties when placed under extreme conditions.
Molecular traffic jam makes water move faster through nanochannels
Cars inch forward slowly in traffic jams, but molecules, when jammed up, can move extremely fast.
Molecular dynamics simulations reveal mechanisms by which metal nanowires deform or break under strain
Experimentalists searching for strong structural materials have established that nanocrystalline metals, which have average grain sizes smaller than 100 nanometers, are stronger, harder and more resistant ...
Parallel in time algorithms enable simulation of long-lasting chemical processes
(Phys.org) —Molecular dynamics simulations often require too much time to be practical for simulating important chemical processes that take place on long timescales. Using EMSL-developed NWChem, researchers ...
Enhanced sputtering yields from single-ion impacts on gold nanorods
Manufacturers of increasingly minute computer chips, transistors and other products will have to take special note of research findings at the University of Huddersfield. The implications are that a key ...
Supercomputers help researchers identify key molecular switch that controls cell behavior
If scientists can control cellular functions such as movement and development, they can cripple cells and pathogens that are causing disease in the body.
Difficult dance steps: Team learns how membrane transporter moves
(Phys.org) —Researchers have tried for decades to understand the undulations and gyrations that allow transport proteins to shuttle molecules from one side of a cell membrane to the other. Now scientists ...