C2SEPEM - Center for Computational Study of Excited-State Phenomena in Energy Materials



C2SEPEM is based at LBNL and consisted of an integrated theory and experimental team of co-PIs from LBNL, and at UCLA and the University of Texas, Austin. Our team has extensive experience in collaborative, interdisciplinary research, and includes leaders in the development of theories, computational tools and data infrastructure in physics, chemistry, materials science, applied math, and computational sciences, and leaders in experimental characterization of bulk and nanoscale materials. The activities of Center will be grouped into four thrust areas – Theory, Methods, Software and Validation.

Thrust Areas of C2SEPEM
Roles and Responsibilities

Dr. Steven G. Louie serves as Director and Principal Investigator of the Center as well as the leader for the Theory Thrust Area. Dr. Louie is a world leader and pioneer in computational materials science, the founder and lead developer of the BerkeleyGW, and has extensive experience in management. He is responsible for management, budgets, oversight, and is the point person for communications with the DOE.

Dr. Jeffrey B. Neaton serves as the Center’s Associate Director, working directly with Dr. Louie, and the leader for the Validation Thrust Area. Dr. Neaton is a recognized leading condensed matter theorist in computational materials; he is also Director of the Molecular Foundry.

This senior leadership team will be rounded out by an Executive Committee (EC), consisting of the director and associate director, and the four thrust leaders. The two other members of the EC are:

Dr. Eran Rabani (leader of the Methods Thrust Area), a leader in computational materials science and a pioneer in stochastic electronic structure techniques.

Dr. Jack Deslippe (leader of the Software Thrust Area), a leading computational physicist, a group leader at NERSC, and a major developer of the BerkeleyGW software.

Our Center’s team includes additional significant expertise in theory, methods and software development, and experiments at LBNL and elsewhere:

Dr. James R. Chelikowsky, a world renowned materials physicist with expertise in large-scale electronic structure methods and algorithms developments.

Dr. Daniel Neuhauser, a leading theoretical chemist with expertise in many-body theory and stochastic techniques.

Dr. Feng Wang, a leading experimentalist in optics and time-resolved spectroscopy of 2D materials and other nanoscale systems who leads our experimental effort to address predicted phenomena and to validate methodological advances, with support from the Molecular Foundry and the Advanced Light Source.

Dr. Naomi Ginsberg, a leading experimentalist in ultrafast spectroscopy, light microscopy, and cathodoluminescence electron microscopy.

Dr. Chao Yang, a leading expert in applied mathematics and member of the CAMERA center at LBNL.

Dr. Diana Qiu, a leader in computational material science and excited state properties of materials.

Dr. Felipe da Jornada, an expert in many body perturbation theory calculations to study multi-particle excitations in materials.

The above leadership team, in consultation with the co-PIs and the external Scientific Advisory Board of the Center, determines the priority and resource allocation for the Center activities to ensure the objectives of the Project will be achieved.

As illustrated in the chart above, the senior participants (co-PIs) are members of multiple thrust areas as a means of achieving an integrated project with synergy among investigators. For the same purpose, we have regularly scheduled management and scientific meetings, and shared postdocs and students among investigators of a thrust and between thrusts are arranged.