High-throughput Computing Platform for Electrochemical Energy Storage Materials

Links

VASP
VASP supports school psychologists in promoting and advocating for the educational and mental health development of all Virginia's students, schools, families, and communities.
Bilbao Crystallographic Server
A web site with crystallographic databases and programs freely available on-line.
Atomic Simulation Environment(ASE)
A set of tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulations.

Publications

HE B, YE A, CHI S, et al. CAVD, towards Better Characterization of Void Space for Ionic Transport Analysis[J/OL]. Scientific Data, 2020, 7(1): 153. DOI:10.1038/s41597-020-0491-x. https://doi.org/10.1038/s41597-020-0491-x
HE B, CHI S, YE A, et al. High-Throughput Screening Platform for Solid Electrolytes Combining Hierarchical Ion-Transport Prediction Algorithms[J/OL]. Scientific Data, 2020, 7(1): 151. DOI:10.1038/s41597-020-0474-y. https://doi.org/10.1038/s41597-020-0474-y
ZHANG L, HE B, ZHAO Q, et al. A Database of Ionic Transport Characteristics for Over 29 000 Inorganic Compounds[J/OL]. Advanced Functional Materials, 2020, 30(35): 2003087[2020–07–20]. DOI:10.1002/adfm.202003087. https://doi.org/10.1002/adfm.202003087
ZOU Z, MA N, WANG A, et al. Relationships Between Na + Distribution, Concerted Migration, and Diffusion Properties in Rhombohedral NASICON[J/OL]. Advanced Energy Materials, 2020, 10(30): 2001486[2020–07–20]. DOI:10.1002/aenm.202001486. https://doi.org/10.1002/adfm.202003087
Pan, Li, et al. "Revisiting the ionic diffusion mechanism in Li3PS4 via the joint usage of geometrical analysis and bond valence method." Journal of Materiomics 5.4 (2019): 688-695. https://doi.org/10.1016/j.jmat.2019.04.010
Naveed, Ahmad, et al. "A Highly Reversible Zn Anode with Intrinsically Safe Organic Electrolyte for Long‐Cycle‐Life Batteries." Advanced Materials 31.36 (2019). https://doi.org/10.1002/adma.201900668

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