Science Daily

A reliable and efficient computational method for finding transition states in chemical reactions

A computational method for finding transition states in chemical reactions, greatly reducing computational costs with high reliability, has been devised. Compared to the most widely used existing ...
C&EN

Computational scientists look for lessons learned from the COVID-19 pandemic

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 ...
Science Daily

X-ray data-enhanced computational method can determine crystal structures of multiphase materials

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 ...
News Medical

Researchers develop novel computational method to interpret complex single-cell data

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 ...
National Academies of Sciences%2c Engineering%2c and Medicine

DOE Should Develop AI-Based Foundation Models Fused with Traditional Computational Methods to Bring Paradigm Shift to Scientific Discovery

WASHINGTON — A new report from the National Academies of Sciences, Engineering, and Medicine examines how the U.S. Department of Energy could use foundation models for scientific research, and finds ...