Next Step: TB-SEMO Methods?
Johannes Margraf and I have published our perspective on what semiempirical molecular orbital (SEMO) methods are …
Tag: OM2
ODMx: New Consistent Semiempirical Methods
We have introduced two new NDDO-based semiempirical quantum-chemical methods ODM2 and ODM3, which are more consistent …
Machine Learning of Semiempirical Parameters
We propose using machine learning (ML) for improving semiempirical Hamiltonian. Given sufficiently large training set ML …