T. A. Arias

Iterative minimization techniques for<i>ab initio</i>total-energy calculations: molecular dynamics and conjugate gradients

M. C. Payne, M. P. Teter, D. C. Allan et al. · Reviews of Modern Physics · 1992 · 9.5K citations

Numerical Analysis, Engineering, Computational Chemistry +17

The Geometry of Algorithms with Orthogonality Constraints

Alan Edelman, T. A. Arias, Steven T. Smith · SIAM Journal on Matrix Analysis and Applications · 1998 · 2.7K citations

Numerical Analysis, Mathematical Programming, Orthogonality Constraints +15

A tunable carbon nanotube electromechanical oscillator

V. A. Sazonova, Yuval Yaish, Hande Üstünel et al. · Nature · 2004 · 1.3K citations · Full text

Engineering, Carbon-based Material, Flexible Electronics +5

Designing solid-liquid interphases for sodium batteries

Snehashis Choudhury, Shuya Wei, Yalcin Ozhabes et al. · Nature Communications · 2017 · 399 citations · Full text

Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry

Ravishankar Sundararaman, William A. Goddard, T. A. Arias · The Journal of Chemical Physics · 2017 · 379 citations · Full text

Electron Density, Engineering, Molecular Electrochemistry +14