M
Mark Asta
Researcher at University of California, Berkeley
Publications - 397
Citations - 28320
Mark Asta is an academic researcher from University of California, Berkeley. The author has contributed to research in topics: Density functional theory & Dislocation. The author has an hindex of 78, co-authored 371 publications receiving 22116 citations. Previous affiliations of Mark Asta include Northwest University (United States) & University of California, Los Angeles.
Papers
More filters
Journal ArticleDOI
Development of new interatomic potentials appropriate for crystalline and liquid iron
TL;DR: In this paper, two procedures were developed to fit interatomic potentials of the embedded-atom method (EAM) form and applied to determine a potential which describes crystalline and liquid iron.
Journal ArticleDOI
Surface reconstruction and chemical evolution of stoichiometric layered cathode materials for lithium-ion batteries
Feng Lin,Isaac M. Markus,Isaac M. Markus,Dennis Nordlund,Tsu-Chien Weng,Mark Asta,Huolin L. Xin,Marca M. Doeff +7 more
TL;DR: It was found that the surface reconstruction exhibits a strong anisotropic characteristic, which predominantly occurs along lithium diffusion channels, and the surface reaction layer is composed of lithium fluoride embedded in a complex organic matrix.
Journal ArticleDOI
The Alloy Theoretic Automated Toolkit: A User Guide
TL;DR: A concise user guide is presented outlining the steps required to obtain thermodynamic information from ab initio calculations of alloy thermodynamic properties from first-principles.
Journal ArticleDOI
Efficient stochastic generation of special quasirandom structures
A. van de Walle,Pratyush Tiwary,M. de Jong,David L. Olmsted,Mark Asta,A. Dick,Dongwon Shin,Yi Wang,Long Qing Chen,Zi Kui Liu +9 more
TL;DR: The proposed method optimizes the shape of the supercell jointly with the occupation of the atomic sites, thus ensuring that the configurational space searched is exhaustive and not biased by a pre-specified supercell shape.
Journal ArticleDOI
Lead‐Free Halide Perovskite Solar Cells with High Photocurrents Realized Through Vacancy Modulation
Mulmudi Hemant Kumar,Sabba Dharani,Wei Lin Leong,Pablo P. Boix,Rajiv Ramanujam Prabhakar,Tom Baikie,Chen Shi,Hong Ding,Ramamoorthy Ramesh,Mark Asta,Michael Graetzel,Michael Graetzel,Subodh Mhaisalkar,Nripan Mathews +13 more
TL;DR: Lead free perovskite solar cells based on a CsSnI3 light absorber with a spectral response from 950 nm with high photocurrents are demonstrated.