EPSRC Centre for Doctoral Training in Molecular Modelling and Materials Science

伦敦大学学院(UCL)“分子建模和材料科学”博士培训中心(M3S CDT)将为学生提供计算和实验材料科学方面的全面和综合培训方案，以培养具有经验和对重要工业应用有鉴赏力的熟练研究人员。由于分子水平的结构和物理化学过程在很大程度上决定了任何材料的宏观性质，对这种纳米级行为的定量研究对复杂功能材料的设计和工程至关重要。M3S CDT提供一个高度多学科的4年制博士课程，该课程与大量工业和外部赞助商合作开展各种项目。中心内的四个主要研究主题是：1)能源材料；2)催化；3)医疗材料；和4)“智能”纳米材料，这将是一个广泛的培训和研究计划的基础上，(I)软件开发与哈特里中心，达累斯伯里，和(Ii)材料表征技术，利用中央设施与ISIS和钻石合作。在M3S CDT的学生遵循量身定制的专业技术课程，专业认证的项目管理课程和通用技能培训，以确保无论他们的第一个学位，在完成所有学生将获得全面的技术学校教育，创新和创业培训，管理和可转让的技能，以及具有挑战性的博士学位研究。学生们将50%的时间花在与外部赞助商一起的现场，获得竞争激烈的行业或(国际)国家实验室要求苛刻的研究环境的第一手经验。由我们中心推动的材料科学综合计算和实验方法的全球和国家重要性已在许多政策文件中得到强调，包括美国材料基因组倡议和欧洲科学基金会的材料科学和工程专家委员会关于计算技术、方法和材料设计的立场文件。英国的材料科学研究在所有8项未来技术中发挥着关键作用，这8项技术由科学大臣大卫·威利茨确定，以帮助英国获得长期可持续的经济增长。伦敦大学学院的材料研究特别发达，有一个蓬勃发展的材料研究中心、一个材料化学中心和一个新的材料发现中心(2013年)，其任务是与哈威尔研究综合体的催化技术中心和著名的弗朗西斯·克里克生物医学研究所(2015年开业)建立密切的研究联系。M3S将与这些中心密切合作，其学术和工业主管已经深度参与和/或位于哈维尔研究综合体，而最近与弗朗西斯·克里克研究所的一些联合任命将加强M3S与生物医学本已牢固的联系。此外，伦敦大学化学学院可能是英国(如果不是世界上)计算材料科学家最集中的地方，他们通过伦敦的托马斯·杨材料理论和模拟中心进行互动。因此，伦敦大学学院拥有一支由100多名积极从事研究的学术人员组成的庞大团队，可以监督研究项目，确保所有外部合作伙伴可以与相关研究领域的学者合作，组成一个监督团队，与中心的学生一起工作。现有M3S CDT的成功，以及将其研究范围和产业伙伴关系扩大到热门的新材料科学领域的明显潜力，是EPSRC战略资金优先事项的核心，并解决了国家技能差距，导致了该中心新阶段每年资助5名学生的提议。

The Centre for Doctoral Training in "Molecular Modelling and Materials Science" (M3S CDT) at University College London (UCL) will deliver to its students a comprehensive and integrated training programme in computational and experimentalmaterials science to produce skilled researchers with experience and appreciation of industrially important applications. As structural and physico-chemical processes at the molecular level largely determine the macroscopic properties of any material, quantitative research into this nano-scale behaviour is crucially important to the design and engineering of complex functional materials.The M3S CDT offers a highly multi-disciplinary 4-year doctoral programme, which works in partnership with a large base of industrial and external sponsors on a variety of projects. The four main research themes within the Centre are 1) Energy Materials; 2) Catalysis; 3) Healthcare Materials; and 4) 'Smart' Nano-Materials, which will be underpinned by an extensive training and research programme in (i) Software Development together with the Hartree Centre, Daresbury, and (ii) Materials Characterisation techniques, employing Central Facilities in partnership with ISIS and Diamond.Students at the M3S CDT follow a tailor-made taught programme of specialist technical courses, professionally accredited project management courses and generic skills training, which ensures that whatever their first degree, on completion all students will have obtained thorough technical schooling, training in innovation and entrepreneurship and managerial and transferable skills, as well as a challenging doctoral research degree. Spending >50% of their time on site with external sponsors, the students gain first-hand experience of the demanding research environment of a competitive industry or (inter)national lab.The global and national importance of an integrated computational and experimental approach to the Materials Sciences, as promoted by our Centre, has been highlighted in a number of policy documents, including the US Materials Genome Initiative and European Science Foundation's Materials Science and Engineering Expert Committee position paper on Computational Techniques, Methods and Materials Design. Materials Science research in the UK plays a key role within all of the 8 Future Technologies, identified by Science Minister David Willetts to help the UK acquire long-term sustainable economic growth.Materials research in UCL is particularly well developed, with a thriving Centre for Materials Research, a Materials Chemistry Centre and a new Centre for Materials Discovery (2013) with a remit to build close research links with theCatalysis Technology Hub at the Harwell Research Complex and the prestigious Francis Crick Institute for biomedical research (opening in 2015). The M3S will work closely with these centres and its academic and industrial supervisors arealready heavily involved with and/or located at the Harwell Research Complex, whereas a number of recent joint appointments with the Francis Crick Institute will boost the M3S's already strong link with biomedicine. Moreover, UCLhas perhaps the largest concentration of computational materials scientists in the UK, if not the world, who interact through the London-wide Thomas Young Centre for the Theory and Simulation of Materials. As such, UCL has a large team of well over 100 research-active academic staff available to supervise research projects, ensuring that all external partners can team up with an academic in a relevant research field to form a supervisory team to work with the Centre students.The success of the existing M3S CDT and the obvious potential to widen its research remit and industrial partnerships into topical new materials science areas, which lie at the heart of EPSRC's strategic funding priorities and address nationalskills gaps, has led to this proposal for the funding of 5 annual student cohorts in the new phase of the Centre.