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Efficient discovery of improved energy materials by a new AI-guided workflow - These can help alleviate the ongoing energy crisis

Scientists of the NOMAD Laboratory at the Fritz Haber Institute of the Max Planck Society recently proposed a workflow that can dramatically accelerate the search for novel materials with improved . ....

Thomas Purcell , Fritz Haber Institute , Max Planck Society , Computational Materials , Artificial Intelligence , Debye Temperature , Comput Mater ,

Machine learning takes materials modeling into new era - Deep learning approach enables accurate electronic structure calculations at large scales

The arrangement of electrons in matter, known as the electronic structure, plays a crucial role in fundamental but also applied research such as drug design and energy storage. However, the lack o . ....

Lenz Fiedler , Attila Cangi , Siva Rajamanickam , Nvidia Corp , Carolinaat State University , Department Head Of Matter Under Extreme Conditions , Georgia Institute Of Technology , Sambanova Systems Inc , Sandia National Laboratories , Materials Learning Algorithms , Acting Department Head , Extreme Conditions , Georgia Institute , North Carolina , Comput Mater ,