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The HANDE quantum Monte Carlo project offers accessible stochastic algorithms for general use for scientists in the field of quantum chemistry. HANDE is an ambitious and general high-performance code developed by a geographically-dispersed team with a variety of backgrounds in computational science. In the course of preparing a public, open-source release, we have taken this opportunity to step back and look at what we have done and what we hope to do in the future. We pay particular attention to development processes, the approach taken to train students joining the project, and how a flat hierarchical structure aids communication
The development of scientific software is, more than ever, critical to the practice of science, and this is accompanied by a trend towards more open and collaborative efforts. Unfortunately, there has been little investigation into who is driving the
A novel modeling framework is proposed for dynamic scheduling of projects and workforce assignment in open source software development (OSSD). The goal is to help project managers in OSSD distribute workforce to multiple projects to achieve high effi
Managing and growing a successful cyberinfrastructure such as nanoHUB.org presents a variety of opportunities and challenges, particularly in regard to software. This position paper details a number of those issues and how we have approached them.
Open source development, to a great extent, is a type of social movement in which shared ideologies play critical roles. For participants of open source development, ideology determines how they make sense of things, shapes their thoughts, actions, a
Building on the success of Quantum Monte Carlo techniques such as diffusion Monte Carlo, alternative stochastic approaches to solve electronic structure problems have emerged over the last decade. The full configuration interaction quantum Monte Carl