Diana Qiu

Assistant Professor

Office: 810 West Campus Dr, Rm A145, New Haven, CT 06516

Mailing Address: Energy Sciences Institute, Building II, A145, 300 Hefferan Drive, West Haven, CT 06516






Aakash Kumar


  • PhD, Materials Science and Engineering, University of Florida, 2016
  • B. Tech., Metallurgical and Materials Engineering, National Institute of Technology Trichy, India, 2012
Interests: I am interested in exploring the interplay between the structure of heterophase interfaces and their electronic, transport and mechanical properties and how defects at these interfaces, such as point defects and dislocations, can modify them. I apply quantum mechanical modeling, such as density functional theory (DFT), as well as classical methods like molecular dynamics (MD) to investigate the complex interfacial phenomena that can be tapped to design novel energy devices such as all-solid-state batteries and thin-film solar cells. My current focus is the application of DFT and GW methods to investigate the exotic properties of interfaces in two-dimensional materials and explore their potential in the design of novel energy devices.

Dan Wang


  • PhD, Physical Electronics, Jilin University, China, 2017
  • B. E., Electronic Science and Technology, Jilin University, China, 2011

Interests: I am interested in developing and applying computational approaches to understand the properties of two-dimensional (2D) materials/heterostructures for physical exploration and technological applications. Previously, I worked on developing general and efficient methods for rapidly converging the energy of charged defects in low-dimensional systems and exploring the unique defect physics brought up by dimensionality reduction from 3D to 2D. My current research spans across understanding the excited-state properties of 2D materials and heterostructures as well as the effects of point defect and molecule absorption on the interaction of light with these materials, especially in the processes of light-harvesting and electron-hole generation and separation, to guide screening/designing novel materials for energy applications.

Graduate Students

Bowen Hou


  • B.E., Fudan University, Shanghai, China, 2021
Interests: excitons, exciton-phonon interactions, topological insulators, light-matter interactions, 2D materials


Jack McArthur

Yale College 2022

Email:  jack (dot) mcarthur (at) yale 

Former Group Members

  • Aditi Shetty (Yale College 2021)
  • Charlie Loitman (Yale College 2022)