Recent Advances of the Fragment Molecular Orbital Method Enhanced Performance and Applicability

Yuji Mochizuki, Dr. Sci., Professor, Rikkyo University

Yuji Mochizuki received his Ph.D. degree in quantum chemistry in 1990 from Hokkaido University. He worked at the NEC Corporation (1990–1997) and JapanAtomic Energy Research Institute (1997–2003). Then, he started the code development works and related applications of the FMO method with theABINIT-MP program at the University of Tokyo (2003–2006). Currently, he is a Professor of chemistry at Rikkyo University. His research interests are spread over multiscale simulations, machine-learning analyses of calculated results, and high-performance computing, besides the development of ABINIT-MP.

Shigenori Tanaka, Dr. Sci., Professor, Kobe University

Shigenori Tanaka received his Ph.D. in theoretical physics in 1986 from the University of Tokyo. He worked as a Research Associate at the University of Tokyo and later as a Researcher at the Toshiba Research and Development Center. Meanwhile, he worked at the California Institute of Technology in 1995–1996 as a Visiting Researcher. Since 2004, he has been a Professor at Kobe University. His primary research interests are the development of first-principles computational methods for biomolecular systems and their applications for bottom-up modeling of biological phenomena.

Kaori Fukuzawa, Dr. Eng., Associate Professor, Hoshi University

Kaori Fukuzawa received her M.S. in quantum chemistry from Rikkyo University in 1997 and Ph.D. in applied quantum chemistry from the University of Tokyo in 2001. She worked at the Mizuho Information and Research Institute (2000–2014) and Nihon University (2014–2016). She has been an Associate Professor at Hoshi University since 2016. Her research interests include application of quantum chemistry for in silico drug discovery, computational structural biology, and understanding chemical phenomena of biomolecular systems.