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 ...
The speed and agility of cloud computing opens doors to completing advanced computational chemistry workflows in days instead of months. Some computing challenges are so big that it's necessary to go ...
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 ...
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 ...
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