Discovery of Self-Assembling π-Conjugated Peptides by Active Learning-Directed Coarse-Grained Molecular Simulation. - Kirill Shmilovich; Rachael A. Mansbach; Hythem Sidky; Olivia E. Dunne; Sayak Subhra Panda; John D. Tovar; Andrew L. Ferguson (CoRR, 2020)