Neural networks can be used to build a more accurate map of the density and interaction between electrons than was previously attainable, new research from DeepMind shows. Learn more ⬇ ScienceResearch: SciencePerspective:
In the past 30 years, density functional theory has emerged as the most widely used electronic structure method to predict the properties of various systems in chemistry, biology, and materials science. Despite a long history of successes, state-of-the-art DFT functionals have crucial limitations. In particular, significant systematic errors are observed for charge densities involving mobile charges and spins. Kirkpatrick.
—YSDensity functional theory describes matter at the quantum level, but all popular approximations suffer from systematic errors that arise from the violation of mathematical properties of the exact functional. We overcame this fundamental limitation by training a neural network on molecular data and on fictitious systems with fractional charge and spin.
Deutschland Neuesten Nachrichten, Deutschland Schlagzeilen
Similar News:Sie können auch ähnliche Nachrichten wie diese lesen, die wir aus anderen Nachrichtenquellen gesammelt haben.
The Algorithm That Lets Particle Physicists Count Higher Than 2Through his encyclopedic study of the electron, an obscure figure named Stefano Laporta found a handle on the subatomic world’s fearsome complexity.
Weiterlesen »
21 expert-approved winter boots that are functional, stylish and warmLace up and get ready for your best winter yet.
Weiterlesen »
The end of vice: laws change around drugs, sex, gamblingAll the old vices — from sex to gambling to drugs — are quickly becoming legal, as both society and the criminal justice system rethink their values.
Weiterlesen »
Apple’s Best iPhone Privacy Feature Has A Surprising ProblemThere's a surprising problem with Apple’s best iPhone privacy feature..
Weiterlesen »
I Keep a Secret Log of Everything My Wife Does During Sex. I’ve Noticed Some Patterns.Dear How to Do It: My wife might not like what I've found.
Weiterlesen »
Albert Lin: Modernizing exploration with new frontiers in technologyNational Geographic Explorer Albert Lin defies categorization: he is at once an explorer, engineer, scientist, archaeologist, technologist, and more
Weiterlesen »