A novel parallel computing framework for chemical process simulation has been proposed by researchers from the East China University of Science and Technology and the University of Sheffield. This ...

Molecular simulations serve as a crucial tool in the quantitative understanding of chemical reaction equilibria by bridging atomistic interactions and macroscopic phenomena. Through advanced ...

Chemistry moves from in-person lab and the classroom to the computer, as working in a virtual chemistry laboratory and viewing simulations provide additional ways of learning chemistry. Each ...

Simulations Plus (NASDAQ:SLP) offers advanced modeling software for the pharmaceutical and biotechnology industries within nasdaq today.

A new study from Tel Aviv University discovered that a known practice in information technology can also be applied to chemistry. Researchers found that to enhance the sampling in chemical simulations ...

Chemical dynamics simulations have emerged as a pivotal tool for unravelling the intricate processes underlying ion fragmentation and energy transfer. These computational studies employ ab initio and ...

Establishing a new quantum mechanics/molecular mechanics design principle based on electronic-state responses.

In the reaction, the bonds in the methane and oxygen molecule come apart, the atoms rearrange and then re-bond to form water and carbon dioxide. The little number written at the lower right after an ...