The future of chemistry is in the hands of technology. With the help of emerging technologies, scientists can perform unprecedented feats of discovery and innovation. One such technology is called ...

Using the now-decommissioned Summit supercomputer, researchers at the Department of Energy's Oak Ridge National Laboratory ran the largest and most accurate molecular dynamics simulations yet of the ...

Learn chemical process simulation, economics, automation, and control. Design and retrofit chemical processes to achieve improved performance and a better bottom line. Build skills in advanced process ...

Having accurate simulation tools will accelerate the discovery of new materials, drugs, or other photoactive molecules." This study builds on an earlier study in 2023, in which the research team ...

Computer simulations in chemistry are a powerful way of understanding and optimizing chemical processes. But as the size of the system under consideration grows, so does the computational complexity ...

Process control and simulation lie at the heart of modern industrial operation, uniting mathematical models, real‐time measurements and optimisation algorithms to maintain safe, efficient and ...

Scientists have discovered that a known practice in information technology can also be applied to chemistry. Researchers found that to enhance the sampling in chemical simulations, all you need to do ...

Professor Emeritus John Falconer earned the Thomas and Donna Edgar CACHE Award for Excellence in Chemical Engineering Education for 2021, a recognition for leading the development of online ...

At the air-water interface, a negatively charged amino acid carries out a nucleophile attack on a gas molecule to convert it into a product. The reaction rate is enhanced due to significant reduction ...