Area of research
Electrical and Electronic Engineering · Materials Chemistry
Research interest
Research interests include Machine Learning in Materials Science, Advancements in Battery Materials, Advanced Battery Materials and Technologies, and X-ray Diffraction in Crystallography.
A foundation model for atomistic materials chemistry
Accelerated data-driven materials science with the Materials Project
Atomate2: modular workflows for materials science
Isothermal solidification for high-entropy alloy synthesis
Complete miscibility of immiscible elements at the nanometre scale
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
Enabling selective zinc-ion intercalation by a eutectic electrolyte for practical anodeless zinc batteries
Mitigating the High-Charge Detrimental Phase Transformation in LiNiO<sub>2</sub> Using Doping Engineering
A flexible and scalable scheme for mixing computed formation energies from different levels of theory
Additive‐Free, Low‐Temperature Crystallization of Stable α‐FAPbI<sub>3</sub> Perovskite
A framework for quantifying uncertainty in DFT energy corrections
OPTIMADE, an API for exchanging materials data
Database of ab initio L-edge X-ray absorption near edge structure
NGenE 2021: Electrochemistry Is Everywhere
A Review on Challenges and Successes in Atomic-Scale Design of Catalysts for Electrochemical Synthesis of Hydrogen Peroxide
Machine Learning for Materials Scientists: An Introductory Guide toward Best Practices
Energy storage emerging: A perspective from the Joint Center for Energy Storage Research
In-situ resonant band engineering of solution-processed semiconductors generates high performance n-type thermoelectric nano-inks
The Abinitproject: Impact, environment and recent developments
2DMatPedia, an open computational database of two-dimensional materials from top-down and bottom-up approaches
Grain boundary properties of elemental metals
Anisotropic work function of elemental crystals
Matminer: An open source toolkit for materials data mining
Accelerating the discovery of materials for clean energy in the era of smart automation
High-throughput computational X-ray absorption spectroscopy
Automated generation and ensemble-learned matching of X-ray absorption spectra
Odyssey of Multivalent Cathode Materials: Open Questions and Future Challenges
Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows
Effective mass and Fermi surface complexity factor from ab initio band structure calculations
Investigating the Intercalation Chemistry of Alkali Ions in Fluoride Perovskites