Sustainable RSE Careers for Sustainable Software Development

可持续软件开发的可持续 RSE 职业

• 批准号: EP/N018591/1
• 负责人: Christopher Woods
• 金额: $ 62.24万
• 依托单位: University of Bristol
• 依托单位国家: 英国
• 项目类别: Fellowship
• 财政年份: 2016
• 资助国家: 英国
• 起止时间: 2016 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FN018591%2F1
• 关键词: Sustainable; RSE; Careers; Software; Development

Advances in High Performance Computing (HPC) and scientific software development will have increasingly significant societal impact through the computational design of new products, medicines, materials and industrial processes. However, the complexity of modern HPC hardware means that scientific software development now requires teams of scientists and programmers to work together, with different and non-overlapping skill-sets required from each member of the group. This complexity can lead to software development projects stalling. Investments in software development are in danger of being lost, either because key members of a team move on, or because a lack of planning or engagement means that a sustainable user and developer community has failed to gel around a particular code.Research Software Engineers (RSEs) can solve this problem. RSEs have the skills and training necessary to support software development projects as they move through different stages of the academic software lifecycle. Academic software evolves along this lifecycle, from being a code used by an initial team of researchers, through to a large multi-site community code used by academics and industrialists from across the UK and around the World. RSEs provide the training and support needed to help academic software developers structure their projects to support the sustainable growth of their user and developer communities. RSEs are also highly skilled programmers who can train software developers in advanced HPC techniques, and who can support developers in the implementation, optimisation and testing of complex and intricate code. Together with academic software developers, RSEs can support UK investment in HPC, and ensure that the potential of computational science and engineering to revolutionise the design of future products and industrial processes is realised.This project aims to develop sustainable RSE career pathways and funding at Bristol. This will support the growth of a sustainable team of RSEs at the University. Software development projects that will be supported include; the building of code to interface real biological cells with virtual simulated cells, so to support the rapid design of new biomanufacturing control processes; the development of code to more quickly model the behaviour of electrons in novel materials, to support the design of new fuel cells and batteries; code to improve our understanding of glass-like matter, so to help design new materials with exciting new properties; software to support modelling of the quantum interaction between laser light and microscopic nanoparticles, to support the design of optical tweezers and new optically driven nanomachines; and code to design new medicinal drugs and to understand why existing treatments are no longer working, thereby supporting the development of 21st century medicine.Finally, this project aims to create a coherent set of teaching materials in programming and research software engineering. These, together with the development of software to support science and programming lessons held in an interactive 3D planetarium, will help inspire and educate the next generation of scientists and RSEs. These materials will showcase how maths, physics, computing and chemistry can be used in the "real world" to create the high-tech tools and industries of the future.

高性能计算（HPC）和科学软件开发的进步将通过新产品，药品，材料和工业过程的计算设计产生越来越重大的社会影响。但是，现代HPC硬件的复杂性意味着科学软件开发现在要求科学家和程序员团队一起工作，该小组每个成员都需要不同的和非重叠的技能。这种复杂性可以导致软件开发项目停滞。软件开发的投资有可能丢失的危险，要么是因为团队的主要成员继续前进，要么是因为缺乏计划或参与意味着可持续的用户和开发人员社区未能围绕特定代码而凝胶。研究软件工程师（RSES）可以解决此问题。 RSE具有支持软件开发项目所需的技能和培训，因为它们在学术软件生命周期的不同阶段移动。学术软件沿着这一生命周期发展，从最初的研究人员团队使用的代码到来自英国和世界各地的学术界和工业家使用的大型多站点社区代码。 RSE提供了所需的培训和支持，以帮助学术软件开发人员构建其项目，以支持其用户和开发人员社区的可持续发展。 RSE也是高技能的程序员，他们可以培训高级HPC技术的软件开发人员，并且可以支持开发人员的实施，优化和测试复杂而复杂的代码。与学术软件开发人员一起，RSE可以支持英国对HPC的投资，并确保计算科学和工程的潜力彻底改变了未来产品和工业流程的设计。该项目旨在在布里斯托尔开发可持续的RSE职业道路和资金。这将支持大学可持续的RSE团队的成长。将支持的软件开发项目包括；建立与虚拟模拟细胞接口实体生物细胞的代码，以支持新的生物制造控制过程的快速设计；代码的开发更快地模拟电子在新型材料中的行为，以支持新的燃料电池和电池的设计；代码以提高我们对类似玻璃的物质的理解，以帮助设计具有令人兴奋的新属性的新材料；支持激光光和微观纳米颗粒之间量子相互作用的软件，以支持光学镊子和新的光学驱动纳米机器的设计；以及设计新药物的代码，并了解为什么现有治疗不再起作用，从而支持21世纪医学的开发。从本文中，该项目旨在在编程和研究软件工程中创建一组连贯的教材。这些以及开发软件以支持在互动3D天文馆中举办的科学和编程课程的软件，将有助于激发和教育下一代科学家和RSES。这些材料将展示如何在“现实世界”中使用数学，物理，计算和化学来创建未来的高科技工具和行业。

项目成果

What's Stopping Knowledge Synthesis? A Systematic Review of Recent Practices in Research on Smallholder Diversity

是什么阻碍了知识合成？

• DOI: 10.3389/fsufs.2021.727425
• 发表时间: 2021
• 期刊: Frontiers in Sustainable Food Systems
• 影响因子: 4.7
• 作者: Gorman L

BioSimSpace: an interoperable python framework for biomolecular simulation

• DOI: 10.21105/joss.01831
• 发表时间: 2019-01-01
• 期刊: J Open Source Softw
• 作者: Hedges, L.;Mey, A.;Woods, C.
• 通讯作者: Woods, C.

L718Q mutant EGFR escapes covalent inhibition by stabilizing a non-reactive conformation of the lung cancer drug osimertinib.

• DOI: 10.1039/c7sc04761d
• 发表时间: 2018-03-14
• 期刊: Chemical science
• 影响因子: 8.4
• 作者: Callegari D;Ranaghan KE;Woods CJ;Minari R;Tiseo M;Mor M;Mulholland AJ;Lodola A
• 通讯作者: Lodola A

Exploration of the structural requirements of Aurora Kinase B inhibitors by a combined QSAR, modelling and molecular simulation approach.

• DOI: 10.1038/s41598-021-97368-3
• 发表时间: 2021-09-21
• 期刊: Scientific reports
• 影响因子: 4.6
• 作者: Ashraf S;Ranaghan KE;Woods CJ;Mulholland AJ;Ul-Haq Z
• 通讯作者: Ul-Haq Z