Absolutely astonishing, very comprehensive and thorough review of applications of AI for treatment of atomistic modeling: for quantum chemistry, molecular dynamics, protein modelling, conformation generation, material science and partial differential equation solution (not clear for me why here). About 250 pages written by 70+ authors including Bronshtein, Coley, Barzilay, Aspuru-Guzik, etc
#materialinformatics #materialdesign #deeplearning #NN #moleculardynamics #freeenergy #folding #NNforMD #AF #NNforQC
https://arxiv.org/pdf/2307.08423.pdf