M. Asta
M. Asta
University of California, Sandia National Laboratories, Northwestern University
Verified email at berkeley.edu
Cited by
Cited by
Development of new interatomic potentials appropriate for crystalline and liquid iron
MI Mendelev, S Han, DJ Srolovitz, GJ Ackland, DY Sun, M Asta
Philosophical magazine 83 (35), 3977-3994, 2003
The alloy theoretic automated toolkit: A user guide
A Van De Walle, M Asta, G Ceder
Calphad 26 (4), 539-553, 2002
Surface reconstruction and chemical evolution of stoichiometric layered cathode materials for lithium-ion batteries
F Lin, IM Markus, D Nordlund, TC Weng, MD Asta, HL Xin, MM Doeff
Nature communications 5 (1), 1-9, 2014
Lead‐free halide perovskite solar cells with high photocurrents realized through vacancy modulation
MH Kumar, S Dharani, WL Leong, PP Boix, RR Prabhakar, T Baikie, C Shi, ...
Advanced Materials 26 (41), 7122-7127, 2014
Solidification microstructures and solid-state parallels: Recent developments, future directions
M Asta, C Beckermann, A Karma, W Kurz, R Napolitano, M Plapp, ...
Acta Materialia 57 (4), 941-971, 2009
Efficient stochastic generation of special quasirandom structures
A Van de Walle, P Tiwary, M De Jong, DL Olmsted, M Asta, A Dick, D Shin, ...
Calphad 42, 13-18, 2013
Lead-free germanium iodide perovskite materials for photovoltaic applications
T Krishnamoorthy, H Ding, C Yan, WL Leong, T Baikie, Z Zhang, ...
Journal of Materials Chemistry A 3 (47), 23829-23832, 2015
Charting the complete elastic properties of inorganic crystalline compounds
M De Jong, W Chen, T Angsten, A Jain, R Notestine, A Gamst, M Sluiter, ...
Scientific data 2 (1), 1-13, 2015
Method for computing the anisotropy of the solid-liquid interfacial free energy
JJ Hoyt, M Asta, A Karma
Physical review letters 86 (24), 5530, 2001
Atomistic modeling of interfaces and their impact on microstructure and properties
Y Mishin, M Asta, J Li
Acta Materialia 58 (4), 1117-1151, 2010
First-principles theory of ionic diffusion with nondilute carriers
A Van der Ven, G Ceder, M Asta, PD Tepesch
Physical Review B 64 (18), 184307, 2001
Atomistic and continuum modeling of dendritic solidification
JJ Hoyt, M Asta, A Karma
Materials Science and Engineering: R: Reports 41 (6), 121-163, 2003
The structure and chemistry of the TiO 2-rich surface of SrTiO 3 (001)
N Erdman, KR Poeppelmeier, M Asta, O Warschkow, DE Ellis, LD Marks
Nature 419 (6902), 55-58, 2002
Crystal-melt interfacial free energies in hcp metals: A molecular dynamics study of Mg
DY Sun, MI Mendelev, CA Becker, K Kudin, T Haxhimali, M Asta, JJ Hoyt, ...
Physical Review B 73 (2), 024116, 2006
Analysis of semi-empirical interatomic potentials appropriate for simulation of crystalline and liquid Al and Cu
MI Mendelev, MJ Kramer, CA Becker, M Asta
Philosophical Magazine 88 (12), 1723-1750, 2008
Hydrogen in aluminum: First-principles calculations of structure and thermodynamics
C Wolverton, V Ozoliņš, M Asta
Physical Review B 69 (14), 144109, 2004
Self-driven lattice-model Monte Carlo simulations of alloy thermodynamic properties and phase diagrams
A van de Walle, M Asta
Modelling and Simulation in Materials Science and Engineering 10 (5), 521, 2002
A combined experimental− computational investigation of carbon dioxide capture in a series of isoreticular zeolitic imidazolate frameworks
W Morris, B Leung, H Furukawa, OK Yaghi, N He, H Hayashi, ...
Journal of the American Chemical Society 132 (32), 11006-11008, 2010
Low-temperature long-range oxygen order in YBa 2 Cu 3 O z
D De Fontaine, G Ceder, M Asta
Nature 343 (6258), 544-546, 1990
Structural phase transformations in metallic grain boundaries
T Frolov, DL Olmsted, M Asta, Y Mishin
Nature communications 4 (1), 1-7, 2013
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