Lecture on "Computational Design of Functional Semiconductor Materials"

Lecture on "Computational Design of Functional Semiconductor Materials"
Update:2017-05-15 10:02:39     Author:     From:

Speaker: Zhang Lijun, Professor, College of Materials Science and Engineering, Jilin University

Date: May 15, 2017

Time: 9:30 am 

Location: 702 Quantum Lecture Hall, Block C, Zhixin Building, Central Campus

Sponsor: the School of Physics 


Functional semiconductor materials are widely used in many applications such as electronics, optoelectronics, thermoelectrics, quantum information, etc. Discovery of new semiconductors via rational design is of crucial importance for making breakthrough enhancement of materials performance in applications. With dramatically increasing computing capability of supercomputers and continuously developed computational algorithms, people can resort to materials simulation to explore the properties of thousands of potentially useful materials in a fraction of time that the real experiments might take. This makes theoretical design of functional materials with desired properties in computers come true.  In this talk I will present our recent work on computational materials by design for several functional semiconductor systems [1-8] (e.g., solar absorbers, transparent conductors, low-dimensional semiconductors, etc.). I will also share our concerns about the challenges and potential solutions for realizing the truly sense of materials by design.


1. Lijun Zhang et al., Nano Lett. 12, 984 (2012).

2. Lijun Zhang et al., Nature Commun. 4, 2396 (2013).

3. Lijun Zhang* et al., Nano Lett. 15, 949 (2015).

4. Lijun Zhang* et al., Nano Lett. 15, 88 (2015).

5. Lijun Zhang* et al., Chem. Mater. 29, 2459 (2017).

6. Lijun Zhang* et al., Chem. Mater. 29, 524 (2017).

7. Lijun Zhang* et al., J. Am. Chem. Soc. 139, 2630 (2017).

8. Lijun Zhang* et al., J. Am. Chem. Soc. 10.1021/jacs.7b02120 (2017).


Prof Zhang Lijun completed his DSC from Jilin University in 2008. He had spent six years (from 2008 to 2014) in America on overseas researches, when he worked in Oak Ridge National Laboratory, National Renewable Energy Laboratory, and CU Boulder as the Post-Doctoral Fellow and Research Assistant Professor respectively. He is currently professor and doctoral supervisor of College of Materials Science and Engineering at Jilin University. His main research interests include the band engineering of functional semiconductor materials and new materials by design based on large-scale computer simulation of materials. He has published in top journals such as Nature Commun. and Nature Reviews Materials. He is a member of the editorial board of Scientific Reports and Journal of Semiconductors

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Edited by: Li Wenwen