A deep understanding of intermolecular interactions within an ab initio framework in various environments is vital for chemistry and life science etc.The LM
We select the model molecules that cover the most structures which contain transition metal atoms existed in Protein Data Bank (PDB), and optimize some othe
Graphene is a superstar in current material science and holds promise for many applications.However, many fundamental issues of graphene are still unclear a
G-protein-coupled receptors (GPCRs) are known as seven-transmembrane (TM) domain receptors which sense molecules outside the cell and activate in-cell signa