A flexible nudged elastic band program for optimization of minimum energy pathways using ab initio electronic structure methods. - Dominic R. Alfonso; Kenneth D. Jordan (J. Comput. Chem., 2003)

A framework for optimizing oxygen vacancy formation in doped perovskites. - Christopher L. Hanselman; De Nyago Tafen; Dominic R. Alfonso; Jonathan W. Lekse; Christopher Matranga; David C. Miller; Chrysanthos E. Gounaris (Comput. Chem. Eng., 2019)