Magnetic superhighways discovered in a starburst galaxy's winds

Using the Atacama Large Millimeter/submillimeter Array (ALMA), an international team of astronomers has mapped a magnetic ...

Establishing a new QM/MM design principle based on electronic-state responses

The approach enables objective and automatic determination of the quantum-mechanical region based on electronic-state changes ...

Scientists Discover That Electric Fields Flip the Rules of Water Chemistry

A new study identifies how water becomes ionized under electrochemical conditions. Hydrogen is expected to play a major role ...
Voice&Data

Inside Space's new engine room: high-performance computing

Features: High-performance computing is helping Space agencies and universities compress simulation cycles, train AI models faster, and enable more autonomous missions.
IEEE

Molecular dynamics simulations of proteins: A multi-phase pipeline for protein modeling

Abstract: Running molecular dynamics simulations of proteins is a major necessity for computational biologists to understand diseases and design therapies. However, these simulations require massive ...
AOL

Rice safety Daveon Hook carted off field in scary scene at Armed Forces Bowl

Rice safety Daveon Hook was carted off the field with a serious injury during the Armed Forces Bowl against Texas State on Friday at Amon G. Carter Stadium in Fort Worth. Hook was evaluated on the ...
Frontiers

Investigation of polyurethane pyrolysis characteristics using reactive force field molecular dynamics

1 School of Chemistry and Chemical Engineering, North University of China, Taiyuan, China 2 School of Environment and Safety Engineering, North University of China, Taiyuan, Shanxi, China As a result, ...
C&EN

Bridging the Gap: Using Machine Learning Force Fields to Simulate Gold Break Junctions at Pulling Speeds Closer to Experiments

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. The properties and dynamics of gold nanowires have been studied for decades as an ...
SiliconANGLE

Google demonstrates verifiable quantum simulation that reveals molecular shapes

Google LLC’s quantum division today released research showing that its Willow quantum chip can provide elegant and accurate simulations about the physical properties of molecules much faster than ...
eLife

Conformational changes, excess area, and elasticity of the Piezo protein-membrane nanodome from coarse-grained and atomistic simulations

Dixit, Noe, and Weikl apply coarse-grained and all-atom molecular dynamics to determine the response of the mechanosensitive proteins Piezo 1 and Piezo 2 proteins to tension. Cryo-EM structures in ...
C&EN

Molecular Dynamics Simulation of Fatty Acid Extraction Using a Type V Deep Eutectic Solvent with Tunable Hydrophobicity

Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands Groningen Biomolecular Sciences and Biotechnology Institute, University of Groningen ...