Peacemaker2: Making clusters talk about binary mixtures and neat liquids

Peacemaker2: Making clusters talk about binary mixtures and neat liquids

We present an updated version of Peacemaker, a software package for performing neat and binary Quantum Cluster Equilibrium (QCE, bQCE) calculations. Peacemaker2 has been rewritten from scratch and is fast, robust, parallelized, and well-documented. Apart from sketching the implementation and introdu...

Full description

Bibliographic Details
Main Authors: Michael von Domaros, Eva Perlt, Johannes Ingenmey, Gwydyon Marchelli, Barbara Kirchner
Format: Article
Language:English
Published: Elsevier 2018-01-01
Series:SoftwareX
Online Access:http://www.sciencedirect.com/science/article/pii/S2352711018301845

Similar Items

Similar Items