Tag Archives: atoms and molecules

How Computers Push on the Molecules They Simulate

Berkeley Lab bioscientists and their colleagues decipher a far-reaching problem in computer simulations

Because modern computers have to depict the real world with digital representations of numbers instead of physical analogues, to simulate the continuous passage of time they have to digitize time into small slices. This kind of simulation is essential in disciplines from medical and biological research, to new materials, to fundamental considerations of quantum mechanics, and the fact that it inevitably introduces errors is an ongoing problem for scientists.

Scientists at the U.S. Department of Energy’s Lawrence Berkeley National Laboratory (Berkeley Lab) have now identified and characterized the source of tenacious errors and come up with a way to separate the realistic aspects of a simulation from the artifacts of the computer method. The research was done by David Sivak and his advisor Gavin Crooks in Berkeley Lab’s Physical Biosciences Division and John Chodera, a colleague at the California Institute of Quantitative Biosciences (QB3) at the University of California at Berkeley. The three report their results in Physical Review X. (more…)

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Yale’s New Microscope Brings Atoms’ Identities into Focus

Yale’s acquisition of a powerful new transmission electron microscope (TEM) is expected to transform researchers’ ability to examine and manipulate atom-scale materials and devices on campus.

The approximately $2 million, state-of-the-art microscope offers atomic resolution for both physical structure and chemical composition, as well as significantly faster processing times than other devices on campus. It is the first unit of this specific TEM model acquired for university laboratory use. (more…)

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