npj Computational Materials
This journal publishes high-quality research papers that apply computational approaches for the design of new materials, and for enhancing our understanding of existing ones.
Tensor tomography driven FE analysis of composites
Tensor tomography allows for efficient image-based numerical analysis of carbon fibre composite materials.
Human in the loop automated experiments in Scanning probe microscope
We develop a human-AI collaborated workflow towards autonomous and aligned experiments, as we called it "Bayesian optimized active recommender system" which in short BOARS.
Using the Electronic Charge Density to Analyze Cathode Materials
We have developed a full suite of tools for analyzing the performance of any materials in cathode applications using the electronic charge density. The new framework required advances in algorithms and data storage strategies that push the boundaries of open-source and open-data materials sciences.
