Sep
Congratulations to Rachel Gorelik for being featured by LLNL for her summer internship research!
July
Arunima presented at the invited DoD IHE Opportunities Workshop and Intern Symposium. The workshop and symposium curated excellent speakers! Thanks to the organizers for the opportunity.
Read our latest article that has been published in the journal Advanced Materials. The article is also featured in their Hot Topic: Carbon, Graphite, and Graphene collection and Rice University's news.
June
Adway Gupta passed his thesis exam with flying colors. Congratulations, Dr. Gupta, and all the best in your new postdoc position at the Molecular Foundry at the Lawrence Berkeley National Laboratory!
Our article is featured as the Front Page Cover Image in ACS Applied Materials and Interfaces. You can find the article here. Congratulations to lead authors Rachel and Tara.
Arunima presents a Plenary Invited Talk at the AI-Powered Materials Discovery Workshop at the Great Plains. Thanks to the organizers for the invigorating meeting and discussion!
May
Arunima has been awarded the 2025 U.S. Department of Defense HBCU/MI Summer Faculty Research Fellowship. Grateful for this prestigious opportunity to conduct impactful research.
Our article has been featured as the Front Page Cover Image in Applied Physics Letters. Congratulations to the lead author, Adway!
Congratulations to Adway for being awarded the ASU Graduate College Completion Fellowship.
March
Arunima presents an invited keynote talk at the TMS 2025 conference in Las Vegas. Ph.D. students Rachel, Cody, and Adway also gave excellent presentations and posters showcasing their research at the conference.
Rachel received the College’s Graduate Excellence Award! Congratulations Rachel!
February
Arunima gave an invited talk at the EMA 2025 conference. Thank you to the organizers for the invitation and the excellent symposia!
December
Cody and Adway receive the ASU Department of Physics Physics Graduate Accomplishment Award!
October
A warm welcome to high-school students Claire Li and Ryan Look who will be working with our group through the ASU-SCENE program.
July
Rachel presented a poster at the Aqueous Corrosion Gordon Research Conference
August
Mubin Md Al Furkan joins CMDLab as a research rotation student. Welcome to the team!
June
Cody presented a poster at the 2024 Device Research Conference at the University of Maryland
April
CMDLab has been awarded 5 million core hours of compute time from NSF-ACCESS. Thanks to NSF’s national supercomputing platforms for continued support of our research efforts.
March
CMDLab presented three talks at the APS March Meeting, including an invited talk by Arunima. Find the talk abstracts here- https://meetings.aps.org/Meeting/MAR24/Session/W05.1, https://meetings.aps.org/Meeting/MAR24/Session/D11.12, https://meetings.aps.org/Meeting/MAR24/Session/T05.2
Arunima presented an invited talk at TMS Annual Meeting. Thank you to the symposium organizers for the invitation to participate in the excellent sessions!
Arunima was awarded the TMS 2024 Young Leaders Professional Development Award. Congratulations!
Arunima presented at invited talk at the Rocky Mountain Catalysis Society Meeting in NM. Thank you for the invitation to join this excellent meeting.
February
Congratulations to Cody and Rachel for passing their comprehensive exam with flying colors!
January
Alejandro Barraza-Valdez joins CMDLab as a research rotation student. Welcome to the team!
Oct
A warm welcome to high-school student Rey Jeremiah who will be working with our group through the ASU-SCENE program.
August
Arunima receives the 2023 DOE Early Career Award! We thank department of energy’s theoretical condensed matter physics program for their support.
Read our latest article- published in npj Materials Degradation titled: “Ab initio-based metric for predicting the protectiveness of surface films in aqueous media”
July
Read our research article on strain anisotropy driven spontaneous formation of nanoscrolls from 2D Janus layers that was published in Advanced Functional Materials this month.
June
We publish an article in Nano Letters about the atomic-resolution mapping of localized phonon modes at grain boundaries
Rachel, Cody, Adway, and Tathagata present their research at the 35th Electronic Structure Workshop at UC Merced. Congratulations to Adway Gupta for winning the people’s choice poster presentation prize!
Cody accepted a fellow program at DEVCOM Army Research Laboratory. Congratulations!
May
Adway wins the Department of Physics William J. and Carol M. Motil scholarship for the 2023-2024 academic year. Congratulations!
CMDLab was awarded a NSF FuSe-TG. We look forward to working with the new team.
March
Cody and Rachel present their research at the TMS Annual Meeting in San Diego, CA
Read our recently published article in Advanced Electronic Materials titled Ab-initio Prediction of Ultra-wide band gap BxAl1-xN Materials Advanced Electronic Materials
Feb
Arunima served as a panelist at the MarDA Annual Meeting. Thanks to the organizers for the excellent meeting.
Our article about a high throughput workflow package for GW-BSE calculations, pyGWBSE, was published in npj Computational Materials
News - 2022
November
Read our latest review article published in Annual Review of Condensed Matter Physics: Data-Driven Discovery of Robust Materials for Photocatalytic Energy Conversion
October
Arunima gives an invited talk at the 25th Anniversary Four Corners Meeting of the American Physical Society. Thank you to the organizers for the enriching meeting.
Adway Gupta passes his comprehensive exam. Many congratulations!
August
Congratulations to Tara Boland for successfully completing her Ph.D. Tara continues her research journey as a post-doc at DTU in Prof. Kristian Thygesen's group.
June
Read our article on "Localized Phonon Densities of States at Grain Boundaries in Silicon" here!
We thank NSF-XSEDE for awarding us a supercomputing allocation of 5 million core hours.
May
Tara, Adway, Rachel and Tathagata present contributed talks and Arunima presents an invited talk at the MRS Spring Meeting. We thank the organizers for an enriching conference.
April
Congratulations to Tara for being awarded the SEMTE 2022 Outstanding Research Award!
March
Tara, Adway, Cody, Rachel and Tathagata present their research at the APS March Meeting.
February
Cody passes his qualifying exam. Congratulations!
January
Arunima joins the Editorial Advisory Board of the Journal of Applied Physics!
We welcome Jayashree as an undergraduate research volunteer in the group.
We published an article titled "Computational synthesis of 2D materials: A high-throughput approach to materials design" in Computational Materials Science. Congratulations to Tara who is a first author on this article.
News - 2021
December
NERSC awards us generous CPU and GPU allocation for our research projects. Thank you for the continued support!
November
Arunima presents a Keynote talk at the 4th Edition of Webinar on Nanotechnology. Thanks for the invitation to present at the webinar.
Congratulations to Tathagata for the publication of his article on excitonic effects in photocatalysts in npj Computational Materials.
October
A warm welcome to ASU-SCENE program high-school student Sanvi Lamba.
Arunima presents an invited talk, and Rachel and Adway presented contributed talks at the APS 4 Corners Meeting.
August
Arunima is appointed to the ASU Research Computing Core Facility Governance Board. Thanks for the invitation to contribute to the excellent supercomputing facilities at ASU!
Arunima presented two invited talks this month -
At the 10th Energy Materials Conference At the ASU Research Computing Exposition.
May
CMDlab welcomes Ph.D. student Rachel Gorelik who recently won the NSF-GRFP award. We also welcome M.Sc. student Akash Patil to the group.
March
Tara, Adway, and Tathagata present their research at the APS March meeting and TMS meeting. Arunima presents an invited talk at the TMS meeting. Please see recorded talks on the conference websites. We thank all the organizers for the excellent sessions!
XSEDE grants us 3 million core hours of computing time. Thank you for the continued support!
January
Our study of B4C nanosheets is published in Nanoscale. Congratulations to CMDLab graduate student Adway Gupta and all the authors!
News - 2020
November
Read our study of doped CeO2 grain boundaries in Acta Materialia. Congratulations to CMDLab graduate student Tara Boland and all the authors!
October
Arunima presented invited talks at the NIST MGI seminar series, Pabna University, and the MS&T 2020. Thank you for the invitation to present CMDLab research!
August
Congratulations to Adway Gupta for passing his Ph.D. qualifying examination.
Warm welcome to Ph.D. rotation student Cody Milne. We also welcome three high-school SCENE students, Jessica, Akshaya, and Michelle.
July
Our latest article on the discovery of 2D photocatalysts for CO2 reduction is published in Nature npj 2D Materials and Applications. Read it here.
CMDLab was awarded DOE Office of Science funding through the EFRC program.
May
Tara passes her comprehensive exam. Congratulations!
April
Congratulations to Sydney who bagged the John and Richard Jacob Award at the 2020 ASU Physics Undergraduate Research Symposium!
March
XSEDE yet again grants us 1M+ core hours of computing time. Thanks for the continued support!
February
50+ presentations made at Computational Discovery and Design of Emerging Materials Symposium that we organized for TMS. Tara represents CMDLab through three presentations at this conference in San Diego.
January
Arunima was elected as an APS GERA executive member. Thanks, APS for the opportunity to serve our energy research community!
News - 2019
December
- CMDLab is a proud partner of the Materials of the Universe Center at ASU. See a video clip of the focus of this center here.
November
- CMDLab welcomes SCENE students Rujuta Sane and Aryan Mathur! Thank you, NSF for supporting the research of high-school research enthusiasts.
October
- Our article "Anomalous Phase Transition Behavior in Hydrothermal Grown Layered Tellurene" was published in Nanoscale.
August
A warm welcome to physics rotation students Adway Gupta and Gabriel Munro-Ludders.
Dr. Tathagata Biswas joins CMDLab. Welcome to the group!
July
- Wang Research group and CMDLab awarded NSF-DMR-TMRP grant for the "Prediction and Synthesis of Metal Oxide Nanosheets and Nanoscrolls".
May
- Arunima serves as a Special Judge at the Intel International Science and Engineering Fair, the world’s largest international pre-college science competition.
Sydney Olson, an ASU physics senior, joins CMDLab. Welcome!
April
- Arunima presents CMDLab research at the Computational Data Science Approaches for Materials Conference at the Los Alamos National Lab. Thanks for the invitation and organizing this timely conference!
CMDLab members give oral presentations at the MRS Spring Meeting in Phoenix.
March
XSEDE awards 1.5 million core hours to CMDLab.
- Arunima presents CMDLab research at the TMS 2019 Computational Materials Discovery and Design Symposium.
February
- Arunima presents CMDLab research at the Embry-Riddle Aeronautical University Physics Colloquium. Thank you for the invitation and for being such a wonderful audience!
January
- Our article "Robust and Synthesizable Photocatalysts for CO2 Reduction: A Data-Driven Materials Discovery" accepted in Nature Communications.
- Arunima presents CMD Lab research at the ASU Physics Colloquium!
- A warm welcome to Rishabh Patil. He is a computer science masters student at ASU and will be working on the database setup and management in our group.
Read the blog post associated with our recent work published in Nature Communications here.
News - 2018
December
- CMDlab welcomes undergraduate student John Nkuutu who will be working on MOF-enabled catalysis.
November
- Ph.D. student Tara Boland joins the CMDlab. A very warm welcome! Tara will be working on ionic-transport in CeO2 grain boundaries and the high-throughput screening of substrates for 2D materials synthesis.
August
- Arunima Singh joins the Department of Physics at Arizona State University, Tempe.
October
- CMDlab welcomes Rohan Sathe and Aryan Mathur, our SCENE researchers. Thank you, NSF for supporting the research of high-school research enthusiasts.
- A warm welcome to CMDlab's very first undergraduate student Ashlyn Laird. Ashlyn will be working on the design of tandem catalysts for carbon dioxide reduction.
- Arunima presents her research at the ASU Contemporary Women in Science event. Thank you for the invitation!
- Our article "Rutile Alloys in the Mn–Sb–O System Stabilize Mn3+ To Enable Oxygen Evolution in Strong Acid" was published in ACS Catalysis.