Development and Application of a Single Neural Network Potential for IRMOF-n (n=1,4,6,7,10) - Tayfuroglu, Omer; Kocak, Abdul Kadir; Zorlu, Yunus (ChemRxiv)
Keywords: Chemistry; Computational Chemistry and Modeling; Machine Learning; Materials Chemistry; Organometallic Chemistry; Theoretical and Computational Chemistry; Transition Metal Complexes (Organomet.); Neural Network Potentials; MOFs; Adsorption; Machine Learning