51 citations · 80 across the 9 of their papers we have counts for
9 papers
Crystallographic Challenges in Microscopy of Multidomain Spinel Materials
Ninon Scherz, Shashwat Anand, Colin Ophus +4
Electron microscopy techniques are instrumental in the characterization of energy storage materials, with atomic resolution images providing the detailed structural features that a…
Modeling phase transformations in Mn-rich disordered rocksalt cathodes with machine learning interatomic potentials
Peichen Zhong, Bowen Deng, Shashwat Anand +2
Mn-rich disordered rocksalt (DRX) cathode materials exhibit a phase transformation from a disordered to a partially disordered spinel-like structure (-phase) during electrochemi…
Origin of Enhanced Performance when Mn-Rich Rocksalt Cathodes transform to -DRX
Shashwat Anand, Tara P. Mishra, Peichen Zhong +4
Most Mn-rich cathodes are known to undergo phase transformation into structures resembling spinel-like ordering upon electrochemical cycling. Recently, the irreversible transformat…
Overcoming systematic softening in universal machine learning interatomic potentials by fine-tuning
Bowen Deng, Yunyeong Choi, Peichen Zhong +6
Machine learning interatomic potentials (MLIPs) have introduced a new paradigm for atomic simulations. Recent advancements have seen the emergence of universal MLIPs (uMLIPs) that…
Impact of the Energy Landscape on the Ionic Transport of Disordered Rocksalt Cathodes
Shashwat Anand, Tina Chen, Gerbrand Ceder
Traditional approaches to identify ion-transport pathways often presume equal probability of occupying all hopping sites and focus entirely on finding the lowest migration barrier…
Comparison of the Tetrahedron Method to Smearing Methods for the Electronic Density of States
M. Y. Toriyama, A. M. Ganose, M. Dylla +7
The electronic density of states (DOS) highlights fundamental properties of materials that oftentimes dictate their properties, such as the band gap and Van Hove singularities. In…
On the Dopability of Semiconductors and Governing Material Properties
Anuj Goyal, Prashun Gorai, Shashwat Anand +3
To be practical, semiconductors need to be doped. Sometimes, to nearly degenerate levels, e.g. in applications such as thermoelectric, transparent electronics or power electronics.…
An Enormous Class of Double Half-Heusler Compounds with Low Thermal Conductivity
Shashwat Anand, Max Wood, Chris Wolverton +1
Since their discovery around a century ago, the structure and chemistry of the multi-functional half-Heusler semiconductors have been studied extensively as three component systems…
Investigation of New Lead- free (1-x)BaTiO3-xBi(Mg1/2Zr1/2)O3 Solid Solution with Morphotropic Phase Boundary
Shashwat Anand, Rishikesh Pandey, Akhilesh Kumar Singh
We report here the structure and dielectric studies on a new lead free (1-x)BaTiO3-xBi(Mg1/2Zr1/2)O3 solid solution to explore the morphotropic phase boundary. The powder x-ray dif…