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 ...

A team of physicists has developed a groundbreaking method for detecting congestive heart failure with greater ease and precision than previously thought possible. This multidisciplinary study, ...

Computational methods are now a cornerstone in the study of fluid flow, heat transfer and mass transfer phenomena, underpinning modern simulations that inform both fundamental research and engineering ...

Future events such as the weather or satellite trajectories are computed in tiny time steps, so the computation must be both efficient and as accurate as possible at each step lest errors pile up. A ...

When scientists sequence tumor DNA, they typically find small amounts of genetic code from bacteria, viruses and fungi – microorganisms that, if actually present in tumor tissues, could influence how ...

A new computational method can identify how cause-and-effect relationships ebb and flow over time in dynamic real-life systems such as the brain. The method was reported today in a Reviewed Preprint ...

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 ...

Researchers at The Hong Kong University of Science and Technology (HKUST) School of Engineering have developed a novel reinforcement learning–based generative model to predict neural signals, creating ...

Researchers from Turku Bioscience Centre at the University of Turku, Finland, have developed a new computational method to interpret complex single-cell data. The method helps researchers identify and ...

Schematic image of X-ray data-enhanced computational method. Image Credit: University of Tokyo The method predicts structures directly from powder X-ray diffraction patterns, which are created when ...