Big news! The Canepa Research Group is moving to Purdue University
We are thrilled to announce that on November 2nd, 2026, the Canepa Research Group will move from the University of Houston to Purdue University, joining the School of Mechanical Engineering! This is an exciting new chapter for the group, and we can’t wait to continue exploring and designing functional materials in our new home.
Our perspective on machine learning interatomic potentials for solid-state batteries appears in Chem. Mater.
Our perspective “Machine Learning Interatomic Potentials for Modeling Solid-State Batteries” has been published in Chemistry of Materials, DOI: 10.1021/acs.chemmater.6c01051. The work was led by Mgcini Keith Phuthi and Shyue Ping Ong, and brings together researchers from UC San Diego, UC Berkeley, MIT, Lawrence Berkeley National Laboratory, Argonne National Laboratory, the National University of Singapore, the University of Houston, and Purdue University.
The Research Corporation for Science Advancement awarded our group with research funding
Our group received support from Research Corporation For Science Advancement for a research project titled “Autonomous Discovery of Single-phase High-Entropy Transition Metal Chalcogenides”. This works is in collaboration with Shijing Sun at the University of Washington and Zak Al Balushi at UC Berkeley. We consider this is a significant achievement, particularly during these uncertain times for federal funding.
The Welch Foundation awarded our group with research funding
Our group received support from The Welch Foundation for a research project titled “Exploring Links between Vibrational and Configurational Entropies in Complex Oxides via First-Principles and Machine Learning.” This is a significant achievement, particularly during these uncertain times for federal funding.
Sodium batteries could one day power a green economy!
Our research recently published in Nature Materials, “Obtaining V2(PO4)3 by sodium extraction from single-phase NaxV2(PO4)3 (1 < x < 3) positive electrode materials” (Nat. Mater. 24, 234–242 (2025), DOI: 10.1038/s41563-024-02023-7), carried out together with LRCS in Amiens, France, and ICMCB, Université de Bordeaux, France, was featured in Science: “Move over lithium: Sodium batteries could one day power a green economy”.
Piero named as ACS Materials Au Rising Star in materials science!
Our group is excited to share with you that Piero has been named ACS Materials Au Rising Star in Materials Science!
Eshaan from Caltech visits our laboratory
On December 1st the PhD studente Eshaan Patheria from the research group of Kim See at Caltech visited our laboratory.
Predicted CaV2O4 as an oxide for electrodes in calcium batteries realized in practice!
The group of Prof. Palacín at the Institut de Ciència de Materials de Barcelona, Spain, could reproduce our predictions in Lu W., Wang J., Gautam G. S., Canepa P.; Chem. Mater. 33, 5809–5821 (2021) on CaV2O4 as cathode material for Ca-ion batteries.
Our collaborative work with UNSW (Australia) on the stability of indium/lithium and indium/tin alloys with solid electrolytes appears in Chem. Mater.
Today, July 30th, Baltej Singh published the exciting results of our research lead by our collaborator Dr. Dipan Kundu in the School of Chemical Engineering at UNSW, Australia.
Congratulations to Mr. Ziliang Wang, who has successfully passed his 2nd oral exam towards his PhD degree!
On July 15th, Mr. Ziliang Wang has passed successfully the most important exam towards the fulfillment of his Phd in Materials Science and Engineeing at NUS. Big congratulations Ziliang towards your PhD achievements and success in science.
Congratulations to Mr. Tara P. Mishra, who has published his first paper in the Physical Review Materials!
On February 5th, the research work of Mr. Tara P. Mishra entitled Unlocking the Origin of Compositional Fluctuations in InGaN Light Emitting Diodes was published in Physical Review Materials. Tara developed a powerful methodology to detect the formation of In clusters in high Indium content InxGa1-xN LEDs quantum wells (QWs). His study showed a direct comparison between the computationally predicted and experimentally observed compositional fluctuations.
Congratulations to Mr. Ziliang Wang, who has successfully passed his 1st oral qualifier exam!
On December 10th, Mr. Ziliang Wang has passed successfully his Comprehensive PhD Qualifying Examination (QE II). Big congratulations Ziliang towards your PhD achievements and success in science.
Dr. Zeyu (Jerry) Deng publishes his work on NaSICON electrolytes and electrodes in Chemistry of Materials
On August 27 2020 Dr. Zeyu (Jerry) Deng published his research work on NaSICON electrolytes and electrodes in Chemistry of Materials. The title of the manuscript is Phase Behavior in Rhombohedral NaSiCON Electrolytes and Electrodes Check this out here!
Piero nominated as NUS innovator
On July 28 2020 Piero was mentioned a NUS innovator on the NUS web-site as a result of his recently awarded NRF Fellowship together with three other colleagues from NUS. Check this out on NUS News!
Piero nominated as one of the outstanding reviewers for the RSC Journal of Materials Chemistry A
Piero was nominated Outstanding Reviewers for Journal of Materials Chemistry A in 2019!
We are thrilled that Hengning Chen will be joining our group in August.
We are very excited to welcome Hengning Chen from the University of Chinese Academy of Sciences (UCAS), China, in our research group at NUS from August 2020. We wish her best of luck with her graduate studies in MSE at NUS!
Dr. Canepa is awarded the National Research Fellowship Class 2020
The Singapore National Research Foundation (NRF) Fellowship Scheme is a competitive programme that seeks to attract, recruit and root outstanding young scientists from around the world to conduct independent research in Singapore.
Our cover is selected for the December issue of Nature Materials
Our recently published Nature Materials is selected to feature in the cover of the December issue.
Dr. Canepa is awarded the 5th NRF-ANR Joint Grant Call together with LRCS, Amiens, France
Dr. Canepa is awarded the 5th NRF-ANR (Singapore-France) Joint Grant Call together with Prof. Christian Masquelier at LRCS, Amiens, France. More information can be found here.
Dr. Canepa published his battery work in Nature Materials
Dr. Canepa published his work on solid electrolytes for safe batteries in Nature Materials.
Dr. Jerry Deng joins our group from the University of Cambridge
On Wednesday 13 February, Dr. Jerry Deng, from the University of Cambridge has joined our research group at NUS. We are excited to learn new science from Jerry.
Our new Supermicro fileserver has arrived
We are excited to announce the arrival of our new fileserver ORION from SUPERMICRO and with more than 70 TB disk capacity! This will host our data and part of our computational infrastructure to crank out the analysis of our data.
Advanced Job Management II @ A*STAR
Today, Dr. Pieremanuele Canepa attended a short class on the managment of simulations on the National Supercomputing Centre NSCC High performance computer Aspire-1. This class was very useful to identify engineers @NSCC to engage in the future.
Welcome
Welcome to the web-site of the Canepa Research Lab. You will find here all about the research group and its work.