In this JCP paper, we combined constrained density functional theory (cDFT) with nuclear-electronic orbital density functional theory (NEO-DFT). The new theory, dubbed cNEO-DFT, can provide energy profiles that include nuclear quantum effects. It is the …
James is a graduate student at UW-Madison. He obtained his Bachelor’s degree at Purdue University.
Dr. Xi Xu obtained his PhD from Peking University. He will work as a Postdoc at UW-Madison.
This marks the beginning of the journey! Let’s get on board and be prepared to explore new sciences.