Blind Spots
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Why is it that modern medicine can cure previously deadly diseases in hours
and provide us with artificial limbs, but then the top experts disagree on
wh...
UMA: A Family of Universal Models for Atoms
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Brandon M. Wood, Misko Dzamba1, Xiang Fu, Meng Gao, Muhammed Shuaibi, Luis
Barroso-Luque, Kareem Abdelmaqsoud, Vahe Gharakhanyan, John R. Kitchin,
Daniel...
dJ-DP4 and iJ-DP4: including coupling constants
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I have written quite a number of posts on using quantum mechanics
computations to predict NMR spectra that can aid in identifying chemical
structure. Perha...
The SmartIR Gallery
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Fig. 1: Thermal images in the Gallery Gallery is a tool within the SmartIR
app for users to manage their own thermal images, temperature graphs, and
othe...
New Input Generator Framework in Avogadro 2
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Avogadro 1.x had quite a large number of input generators that came from
very humble beginnings. They were designed to be easy to write, and to give
a s...
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