MRI: Acquisition of Computer Cluster for Data-Driven Discovery in Materials Research and Education

This Major Research Instrumentation to the University Corporation, Northridge provides support for expanding and strengthening the computational facility of the W.M. Keck Computational Materials Theory Center at California State University Northridge (CSUN), a Hispanic serving institution. The cluster will enable cutting-edge materials research and education in the following three areas: (1) in stro...

Stress-Controlled Catalysis via Engineered Nanostructures

Gang Lu, from the Department of Physics and Astronomy, California State University Northridge will work on first-­-principles based multiscale modeling aspect of the project. The proposed research will be carried out at the Computational Materials Theory Center (CMTC) in California State University Northridge. The University has allocated 4,000 square feet of space for the CMTC. The PI (Lu)?s group has acquired the following high perform...

Toward Computational Design of High-Efficiency Photovoltaics from First-Principles

The objective of the project is to develop a first-principles simulation capability to computational design of materials for photovoltaic applications, including all-organic and hybrid organic/inorganic solar cells. The first-principles simulator combines state-of-the-art development in simulations of charge carrier mobility, exciton diffusion and interfacial charge separation in excitonic solar cells and provi...

Computer Cluster for Materials Research and Education

This proposal requests support for expanding and strengthening the computational facility of the W.M. Keck Computational Materials Theory Center (CMTC) at California State University Northridge (CSUN), a Hispanic-serving institution. The general goals of the CMTC are to: (1) foster multidisciplinary and innovative research in computational materials science; (2) educate and train students in cutting-edge computational materials research; and (...

PREM Computational Research and Education for Emergent Materials

This Partnership in Research and Education in Materials (PREM) expands and strengthens a long-term partnership between W. M. Keck Computational Materials Theory Center (CMTC) at California State University Northridge and Princeton Center for Complex Materials (PCCM). The overarching vision of the PREM is to establish a joint research powerhouse on computational materials science and to increase recruitment, retention and degree atta...

Large-scale Modeling of Electron Dynamics and Excitations in Functional and Structural Materials

Understanding excited state phenomena is at the heart of many important materials problems, such as photovoltaics, photocatalysis, plasmonics, solid-state lighting, and biochemical sensing, to name a few. In recent years, time-dependent density functional theory (TDDFT) has become one of the most powerful, versatile and popular computational tools for probing electronic structure and excitations i...

Multiscale Modeling of Aging Mechanisms in Energy Storage Materials

The National Defense Authorization Act for Fiscal Year (FY) 2015 and the Department of Defense (DoD) Appropriations Act for 2015 allocated $23.8M to assist Historically Black Colleges and Universities and Minority-Serving Institutions (HBCU/MI). The program aims to (a) enhance research programs and capabilities in scientific and engineering disciplines critical to the national security functions of DoD; (b) enhance the capacity...

PREM: Partnership between CSUN and Princeton for Quantum Materials

This proposal requests funds to expand and strengthen the research and educational activities of W. M. Keck Computational Materials Theory Center (CMTC) at California State University Northridge (CSUN), a Hispanic-serving institution by forming a long-term and formal collaborative partnership with Princeton Center for Complex Materials (PCCM), an NSF-funded Materials Research Science and Engineering Center. The overarching vision...