TDDFT analytical gradient with large basis set not matching numerical gradient #670 New issue Open henryw7 ...

An electromagnetic device can gently sort cells by levitating them to different heights. It looks like a magic trick: cells at the bottom of a liquid medium begin levitating, then hovering at a ...

Stanford Medicine researchers invent an electromagnetic device that can gently sort different types of cells by levitating them to different heights. It looks like a magic trick: Cells at the bottom ...

Physics and Python stuff. Most of the videos here are either adapted from class lectures or solving physics problems. I really like to use numerical calculations without all the fancy programming ...

The forcefield gradient wrapper scales down gradients for numerical stability (here). However, the maxGrad term only takes into account positive gradients, ignoring large negative terms. This probably ...

Calcium carbonate (CaCO3) scaling is a significant impediment to water systems. Electromagnetic field (EMF) treatment is a promising approach to control scaling owing to its simplicity and low or no ...