We have published the world’s largest database of surface energies and Wulff shapes, dubbed Crystalium. A collaborative effort between the Materials Virtual Lab and the Materials Project, this new open-source database can help researchers design new materials for technologies in which surfaces and interfaces play an important role, such as fuel cells, catalytic converters in cars, computer microchips, nanomaterials and solid-state batteries. You can read more about it in the UCSD press release on EurekAlert! This work is published in Scientific Data as an open-access article, and Richard Tran, one of our undergraduate volunteers, is the first author.
Prof Ong and Zhenbin Wang will be giving the following talks at the upcoming XXV International Materials Research Congress held in Cancun, Mexico. Shyue Ping Ong, “Multi-Electron Polyanion Cathodes For High Energy Density Alkali-Ion Batteries”, Symposium B4. Materials and technologies for stationary electrochemical energy storage, Wed Aug 17 2016, 8:30am. Zhenbin Wang, “Discovery of Novel Narrow-Band Red Phosphors using High-Throughput First Principles Descriptors”, Symposium B2. Inorganic Luminescent Materials and Applications, Thurs, Aug 18 2016, 12:45 pm. We look forward to meeting fellow scientists and researchers who are there!
Version 4.0.0 of pymatgen has just been released. This new version cleans up a lot of the old deprecated code, and includes a lot of new functionality such as ABINIT8 support, improved lammps analysis, and many bug fixes. Check it out at http://www.pymatgen.org.
Zhuoying and Iek-Heng are giving talks on their work on Na3PS4 and Li7P3S11 solid electrolytes at the 229th ECS Meeting in San Diego. Both talks are in the morning (9am and 11:30am) Wed Jun 1 in the Symposium A04 – Battery Modeling and Computation at the Hilton San Diego Bayfront – Indigo 202A. Also, Prof Ong is one of the organizers of Symposium A04.
Zihan Xu, one of the founding members of MAVRL, has recently passed her literature review exam. Congratulations!
Zhi Deng, one of the founding graduate students of MAVRL, has passed his literature review exam! Congratulations!
Prof Ong gave three talks on lithium superionic conductors, alkali-air batteries and room-temperature ionic liquids at the recent American Chemical Society 248th National Meeting in San Francisco. Please check out our media page for the slides of his most recent presentations.
We are seeking to fill one postdoc position. Successful candidate will have the opportunity to lead exciting projects that integrate advanced first principles methods, information technology and experiments (through external collaborations) to develop novel materials in energy storage and solid-state lighting. Interested candidates should send their resume and a list of three references to Dr. Ong.
We are hiring new postdocs and students! Drop us an email to find out more.