Yang Group


Yang Lab publication selected for 2017 Editors' Choice award

"On Extending Generalized Kohn-Sham Density Functionals to Systems with Fractional Number of Electrons" named to The Journal of Chemical Physics Editors' Choice list.  The article will be part of a collection that is made freely available to the public without a subscription for all of 2018.  For more information or to download the collection, visit the site.

Congratulations to Aaron Mahler - MolSSI 2018 Phase-I Software Fellowship

The Molecular Sciences Software Institute selected Aaron's project "Localized Orbital Scaling Correction for Periodic Systems" from more than 50 entrants to receive a six month support fellowship and an invitation to the Phase-II competition.

We congratulate both Zach Scholl and Yang Yang for completing their defenses and earning their PhDs.

Yang is going on to University of Illinois at Urbana-Champaign to be a postdoc with Dr. Sharon Hammes-Schiffer's group.
Zack will be a postdoc with Piotr Marszalek in Mechanical Engineering here at Duke.

Hao Wang receives the Krigbaum Memorial Fellowship AND a Marcus Hobbs Fellowship!

On behalf of the department Hao Wang has been awarded with the Krigbaum Memorial Fellowship and a Marcus Hobbs Fellowship, which will pay his stipend and tuition remission for Spring 2017 semester. These awards are designated for stellar physical chemists. We congratulate Hao!


Weitao Yang was awarded a medal for the Senior Scientist at the Quantum Systems in Chemistry, Physics, and Biology (QSCP XXI)

Weitao Yang was awarded a medal for the Senior Scientist at the Quantum Systems in Chemistry, Physics, and Biology (QSCP XXI) conference at the University of British Columbia, in Vancouver, BC.  Each year they honor one senior scientist who has contributed to their field of research and two junior scientists. Weitao's former postdoc Dr. Erin Johnson was awarded one of the junior medals at the same conference.


Welcome to Nai "Neil" Qiang Su

We extend welcome to the Yang group's new postdoc Neil Qiang Su. Neil comes from Fudan University, a research assistant with Professor Xin Xu. His education has been in mathematics, chemistry and chemical engineering. He will fit nicely with his research in development of electronic structure theory and development of density function theory.


Rachael Al-Saadon receives the Chemistry GAANN fellowship

On behalf of the department and the GAANN Steering Committee, Rachael (with the Yang group) has been awarded with stipend and tuition remission support for two semesters and one summer. This program is to provide mentors and training for teaching and research development. Five students were chosen, so this was an honor for Rachael and we congratulate her!  


Ye Jin receives the GPNANO fellowship

On behalf of the graduate certificate program in Nanosciene, Ye Jin has received the GPNANO fellowship for fall 2015 semester, for stipend, tuition and fees. This was a very competitive  contest for the Nanoscience fellowship. Ye Jin is in both theoretical research groups, those of David Beratan and Weitao Yang.   


Zack Scholl receives the Katherine Goodman Stern Fellowship

Zack Scholl was chosen for the Katherine Goodman Stern Fellowship for the fall and spring semesters of 2015-2016. This competitive award is given to nominated advanced graduate students who are close to finishing up with their dissertations. The fellowship is funded in part from a generous endowment established by Katherine Stern. Congratulations Zack!


Welcome to new postdoc Christopher Sutton from Georgia Tech and new graduate students newly affiliated with Dr. Yang: Ye Jin and Anderson da Silva


Student Zachary Scholl Honored

Grad student Zachary Scholl has been accepted to participate in the 2015 St. Jude Graduate Student Symposium. From 1,815 applications, 44 students were selected by faculty review committee to attend this event.


We welcome new arrival Jiangheng Wu, PhD, Visiting Scholar funded by the China Scholarship Council.


Duke Chemist's Work Makes Top 10

The journal Nature has named the article that Chengteh Lee, Weitao Yang and Robert G. Parr published in 1988 in Physical Review B one of the top 100 most-cited research publications of all time and all fields, entering the list at number 7. Of the publications in chemistry to make the list, the Lee-Yang-Parr article is the most cited one.




Fellowships Announced 2015 for Outstanding Graduate Students

Congratulations to Chen Li for being awarded a Paul M. Gross Fellowship as well as a William Krigbaum Fellowship,
providing stipend support and tuition remission for Spring 2015.

Also congratulations to Du Zhang for being awarded a Joe Taylor Adams Fellowship. This award provides stipend support and tuition remission for Spring 2015.



Weitao Yang wins Florida Award of the ACS!

Weitao Yang has won the Florida Award of the ACS; he will receive the award

on May 10, 2014 at the Florida Annual Meeting and Exposition where a symposium will be held in his honor.  Prior Duke Chemistry awardees include pioneering colleagues Paul Gross (1952) and Charles Hauser (1957).  Congratulations Weitao! Read more:


Zachary Scholl honored

with Student Research Achievement Award along with several others at the Biophysical Society meeting February 2014.




Farewell and congratulations to Degao Peng, who received his PhD and was hooded this May. Degao headed for California to be a data scientist with Linked In, Inc.

Dr. Stephan Steinmann, from Ecole Polytechnique Federale de Lausanne, Institute des Sciences et Ingenierie Cheminques, from Switzerland, has left the Yang group for his new postdoc position at Ecole Normale Superieure in Lyon, France.

Dr. Helen van Aggelen, Research Foundatiion Flanders fellow and visiting scholar, has departed for Princeton to work with Dr. Garnet Chan.

Dr. Chunmei Tang, visiting scholar, has left the Yang group and returned to her teaching position at Hohai University in Nanjing, China.

Pan Wu, completed his PhD dissertation and defened in August, 2013. He has joined TrueCar, Inc. in California working as a Data Scientist.

Dr. Jun Wang, Research Scientist, has departed to become a Software Developer in Epic Company in Madison, Wisconsin.


June 2013: grad student, Yang Yang, is awarded a Paul M. Gross Fellowship, which will pay stipend and tuition remission for Fall 2013 and Spring 2014. Congratulations, Yang!

April 2013: A new approach for explorations in uncharted chemical space. Post-docs Aaron Virshup and Julia Contreras-Garcia, working in the groups of Profs. Beratan and Yang, together with Adjunct Prof. Wipf, report a new approach to taking "stochastic voyages into uncharted chemical space" in order to construct representative libraries that span new galaxies of drug-like compounds. They have shown that the regions sampled are absent in earlier real and virtual molecular libraries. Their approach appears as the JACS Just Accepted paper.


Welcome to our new postdoc, Lin Shen, from University of Hong Kong, advisee of Professor Hao Hu, former Assistant Research Professor of the Yang group here. Same QM/MM research area.

Welcome to new Graduate Student Rachel Al-Saadon, Spring 2013, and Hao Wang, Fall 2013.