Revealing spacecraft geometry effects on impact simulations for NASA’s DART mission

The same DART spacecraft impact can result in very different craters on Dimorphos depending on what the asteroid material is like. The crater on the left is the result if Dimorphos is composed of strong rocky material, while the much larger crater shown on the right could occur if the Dimorphos is made up of … Read more

Advocating a new paradigm for electron simulations

The expanded theoretical foundations meet new experimental tools such as those found at the Helmholtz International Beamline for Extreme Fields (HIBEF). Together, effects that were previously out of reach can now be investigated. Credit: HZDR / Science Communication Lab Although most fundamental mathematical equations that describe electronic structures are long known, they are too complex … Read more

How simulations could help get PFAS out of soil

There are many ways PFAS can enter the environment, all of which increase the odds of finding these chemicals in our food or water. Credit: Michigan Department of Environment, Great Lakes and Energy Michigan State University chemists are discovering new information to help remediate “forever chemicals” by showing for the first time how they interact … Read more

Supercomputer simulations reveal the details of coronavirus fusion

The mechanism by which the coronavirus fuses to host cells has been suggested through simulations by University of Chicago researchers using the Frontera supercomputer at TACC. Representative depiction of a course-grained (CG) simulation of spike trimers in membrane interacting with an adjacent membrane with ACE2 dimers. The insets depict the CG model components for the … Read more