Ab initio and classical simulations of defects in SrTiO₃ASTALA, R; BRISTOWE, P. D.Computational materials science. 2001, Vol 22, Num 1-2, pp 81-86, issn 0927-0256Article

A computational study of twist boundary structures in strontium titanateASTALA, R; BRISTOWE, P. D.Journal of physics. Condensed matter (Print). 2002, Vol 14, Num 49, pp 13635-13641, issn 0953-8984, 7 p.Article

First principles calculations of niobium substitution in strontium titanateASTALA, R; BRISTOWE, P. D.Journal of physics. Condensed matter (Print). 2002, Vol 14, Num 6, pp L49-L156, issn 0953-8984Article

First-principles calculations of an oxygen deficient Σ = 3 (111) [101] grain boundary in strontium titanateASTALA, R; BRISTOWE, P. D.Journal of physics. Condensed matter (Print). 2002, Vol 14, Num 25, pp 6455-6467, issn 0953-8984Article

Normal mode approach for predicting the mechanical properties of solids from first principles: Application to compressibility and thermal expansion of zeolitesASTALA, R; AUERBACH, Scott M; MONSON, P. A et al.Physical review B. Condensed matter and materials physics. 2005, Vol 71, Num 1, pp 014112.1-014112.15, issn 1098-0121Article