High-level ab initio quantum chemical (QC) molecular potential energy surfaces (PESs) are crucial for accurately simulating molecular rotation-vibration spectra. Machine learning (ML) can help ...

Traditional computational approaches make the problem manageable by stripping away much of that real-material complexity.

The Computational Methods Workshop's speakers were focused on today’s real research problems and opportunities in research ...

The process of discovering and designing new chemicals has always been arduous—Sijia Dong wants to change that. As an assistant professor in the department of chemistry and chemical biology, with ...

The use of computational techniques and information systems has revolutionized research in the biological sciences — from the analysis of DNA sequences and the understanding of gene expression and ...

Explore how automated digital pathology and machine learning are transforming chronic traumatic encephalopathy research by ...

Researchers at Columbia University Mailman School of Public Health, in collaboration with investigators at the University of Chicago, have developed a new computational framework that helps scientists ...

The next great political revolution may not begin with a crowd in a square. It may begin with a network of ordinary people ...

Although much of its discovery process is descriptive and qualitative, chemistry is fundamentally a quantitative science. It serves a wide range of human needs, activities, and concerns. The ...

Computational neuroscience is the field of study in which mathematical tools and theories are used to investigate brain function. It can also incorporate diverse approaches from electrical engineering ...

The human brain is a complex and unfathomable supercomputer. How it works is one of the ultimate mysteries of our time. Scientists working in the exciting field of computational neuroscience seek to ...

Computational storage is an innovative technology that combines processor and storage functions within a single device. “It’s a storage subsystem that includes a number of CPUs located on the storage ...