A molecular dynamics simulation method which can generate configurations belonging to the canonical (T, V, N) ensemble or the constant temperature constant pressure (T, P, N) en...
Abstract Technical aspects of the constant pressure molecular dynamics (MD) method proposed by Andersen and extended by Parrinello and Rahman to allow changes in the shape of th...
The constant pressure molecular dynamics technique originally proposed by Andersen to study fluids and subsequently generalized by Parrinello and Rahman to deal with crystals of...
The Andersen-Parrinello-Rahman constant-pressure molecular-dynamics technique has been generalized to study molecular crystals. The method, which appears to have wide applicabil...
Three recently proposed constant temperature molecular dynamics methods by: (i) Nosé (Mol. Phys., to be published); (ii) Hoover et al. [Phys. Rev. Lett. 48, 1818 (1982)], and Ev...
h-index: Number of publications with at least h citations each.