Why the rise of the machines is a good thing for chemistry. No matter your research interests, I'll bet you depend more on computers — databases, scripts, templates, macros, electronic laboratory ...
A new computational chemistry software institute, the first of its kind funded by the National Science Foundation, aims to bring software development in the field up to speed with rapid advances in ...
Computational Chemistry Faces a Coding Crisis | RealClearScience In October last year, a team of natural product chemists discovered a glitch in a widely used piece of NMR software. Buried deep inside ...
The Transferring Exascale Computational Chemistry to Cloud Computing Environment and Emerging Hardware Technologies (TEC4) project is accelerating the transition of electronic structure methods to ...
A new technique called DNA display makes it possible to use short DNA sequences to direct the synthesis of large collections (libraries) of small organic molecules. In DNA display, small molecules are ...
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