Permissively licensed cross-platform tools that provide applications for computational chemistry, materials science, and related areas.
Computational chemistry describes the use of computer modelling and simulation – including ab initio approaches based on quantum chemistry, and empirical approaches – to study the structures ...
We are pleased to introduce the collection Frontiers in Chemistry – Theoretical and Computational Chemistry Editor’s Pick ...
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Having access to the latest versions of a broad range of software is vital if computational chemistry groups are to be at the cutting edge of research and development. Add to this the fact that ...
Nobel Prize in Chemistry highlights AI-driven breakthroughs in computational protein design and structure prediction. Tools ...
A new method can improve treatment for patients with chronic myeloid leukemia by predicting which medication will be most ...
A joint research team led by Yuuki Kubo and Shiji Tsuneyuki of the University of Tokyo has developed a new computational ...
Scientists are calling for changes to chemistry textbooks after discovering a fundamental aspect of structural organic ...
This eBook delves into the science behind first-void urine, exploring its composition, collection methods, and the latest ...
The capability and importance of computational methods in organic chemistry is steadily increasing. This Review provides an overview of computational methods for the design of asymmetric catalysts ...