The COVID-19 pandemic was an all-hands-on-deck event for scientists. Researchers of all stripes looked for ways they could help treat or stop the spread of the SARS-CoV-2 virus, and computational ...
Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...
The new method can determine crystal structures underlying experimental data thus far difficult to analyze. A joint research team led by Yuuki Kubo and Shiji Tsuneyuki of the University of Tokyo has ...
A puzzle in theoretical chemistry has been solved at TU Wien: A new computational method now makes it possible to calculate the forces between large molecules with unprecedented accuracy. Subscribe to ...
If you're a soccer fan, you're familiar with this common sight: A penalty kick is in place, with a "wall" of defenders lined up in front of the goal, ready to leap to try to block the ball if it sails ...
Under a recently completed IAEA project, experts have developed a benchmark database for computational methods and tools used for the utilization, operation and safety analysis of research reactors. A ...