Sr2LiAlO4 – A novel earth-abundant phosphor with excellent color quality

Our paper on “Mining Unexplored Chemistries for Phosphors for High-Color-Quality White-Light-Emitting Diodes” has been published in Joule. Using supercomputers and data mining, we identified Sr2LiAlO4, the first known Sr-Li-Al-O quaternary crystal, as a highly promising phosphor material in low-cost, high-color-quality white LEDs. Eu2+ and Ce3+-activated Sr2LiAlO4 phosphors exhibit broad green-yellow and blue emissions, respectively, with…

Pythia

Meet the newest member of our group, Pythia@Mavrl. Named after the famed oracle of antiquity, Pythia is a GPU-based deep learning machine from Lambda Labs. Our lab will be utilizing Pythia to develop cutting edge models for materials property prediction and discovery.

Scialog: Advanced Energy Storage Team Award

Prof Ong’s team is one of six teams selected for the Scialog Advanced Energy Storage Team Awards by the Research Corporation (Rescorp) for Science Advancement. This project is a collaboration with Prof Scott Warren of University of North Carolina at Chapel Hill and Prof Zhenxing Feng of Oregon State University to develop high-voltage dual-ion batteries….

matgenb – Generating surface slabs and Wulff shapes

Richard Tran has written an excellent Jupyter notebook on how you can use pymatgen to automatically generate surface slabs and analyzing calculated surface energies to construct the Wulff shape. Check it out here.

matgenb – Getting data from the Materials Project

The Materials Virtual Lab has started matgenb, a new public repository to share example notebooks that demonstrate the utilization of open-source codes for the study of materials science. We frequently get requests (from students, postdocs, collaborators, or just general users) for example codes that demonstrate various capabilities in the open-source software we maintain and contribute to, such…

2016 year-end message by Prof Ong

2016 is coming to a close. Before some of you leave for the holidays, I would like to wish you all a Merry Christmas. This year, I have decided to start a new tradition – the year-end message. It has been a great year for the Materials Virtual Lab. We have come a long way…

We are hiring!

We are seeking to fill one postdoctoral position. Successful candidates 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. They will also receive mentoring to prepare them for future careers in academia or…

Crystalium released

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…