Congratulations to Mahdi and Manas for passing their Master Thesis Defense!
The Materials Virtual Lab is proud to announce the launch of crystals.ai, a website of curated models, software and datasets for AI in materials science. Here, you will find web applications implementing on-the-fly prediction of properties using our MEGNet and other models, open-source software frameworks for building your own AI models, as well as curated datasets for reproducible materials AI research.
Prof Ong has been appointed to the Editorial Board of iScience. iScience is a new interdisciplinary, open-access journal by Cell Press that publishes basic and applied research that advances a specific field across life, physical, and earth sciences. Check out their latest articles at http://www.cell.com/iscience/home.
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 excellent thermal quenching resistance of > 88% intensity at 150oC. A prototype phosphor-converted white LED utilizing Sr2LiAlO4-based phosphors yields an excellent color rendering index exceeding 90. This work is a collaboration between the Materials Virtual Lab (UCSD), McKittrick group (UCSD) and Im group (Chonnam University). The lead authors are Zhenbin Wang, Jungmin Ha and Yoon Hwa Kim. More information about this work can be found in the Jacobs School of Engineering News as well as Science Daily, Phys.org, etc.
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.
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. More information can be found in the Rescorp press release.
Zhenbin has written two new notebooks with a tutorial on VASP inputs and analyzing them with pymatgen (link), and on how you run Jupyter notebooks on national supercomputers for more expensive analyses (link).
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.
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 as the Materials Project software stack comprising pymatgen, custodian, and Fireworks. This repo is a start at building a more sustainable path towards sharing of code examples. The first example notebook has been posted on Getting data from the Materials Project.
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 since our founding a little over three years ago, and I believe we have now firmly established ourselves as one of the up-and-coming computational materials research groups in the world. We will end 2016 on a high note with a little over 20 publications in highly respected journals. Funding is at a very healthy level for a group of our age, and we are now a dynamic family of three postdoctoral associates, ten graduate students and three undergraduates. Two of our earliest members (Zhi and Paul) have completed their Senate Exams, and another two (Chen, Zhenbin and Zhuoying) have completed their Literature Review Exams. We welcomed three new group members (Chi, Hui and Zhuonan), and one new-old group member (Richard) in Fall 2016. We will also soon say goodbye to Bala, who has found an excellent opportunity in NASA. We wish him all the best […]