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Web-based molecule sketcher. Contribute to epam/ketcher development by creating an account on GitHub.

In lacunary apatite structure-type Pb4Na(PO4)3, residual density attributable to the deformed 6s2 electron cloud is found in the vicinity of A2-site Pb2+ on regular A2 triangle normal to c. Systematic...

YouTube video by Cliff Benfield

Skala 1.1, the updated deep-learning exchange-correlation functional from Microsoft Research, provides greater accuracy, expanded accessibility across the computational chemistry ecosystem, and a livi...

YouTube video by Shawn@Edo Cheesecake

YouTube video by The Whiskey Boys

We present a large-scale parallel implementation of fully relativistic density functional theory (DFT) for both molecules and periodic solids, using the quasi-four-component (Q4C) method and numeric a...

AI detectors may never beat fraud. Changing how science rewards its researchers might be the only fix that does

YouTube video by SteveVaiHimself

YouTube video by O BEM BOLADO

Mixed quantum–classical dynamics (MQCD) methods are effective models for excited-state processes in quasi-classical molecular systems, in which nuclear motion is described by classical trajectories wh...

YouTube video by Tommy Emmanuel, CGP