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 experimental materials 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 the Catalysis 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 are already 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, UCL has 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 national skills gaps, has led to this proposal for the funding of 5 annual student cohorts in the new phase of the Centre.

The development of new materials and new devices / products based upon these materials is absolutely critical to the economic development of our society. One critical aspect of the development of new materials is the ability to analyse the materials and thus determine their properties. Indeed at the very heart of the philosophy of the materials discipline is the relationship between the microstructure and the properties of the materials. The core idea is that through processing one can control the microstructure and thus the properties. Materials characterisation tells us how succesful we have been at changing the microstructure and so is essential in process development. It also tells us what has gone wrong when materials or devices based upon them fail, i.e. it is used in troubleshooting. There are a vast array of advanced materials characterisation techniques available these days and it is very challenging to know the best technique or combination of techniques to use to answer specific research problems. There is a need, therefore, to train research scientists who are expert in the use of certain techniques but also have a broader in-depth understanding of the plethora of techniques that potentially could be used. At the moment there is a skills gap in this area and we will plug that gap with this CDT in advanced characterisation of materials that brings together experts in advanced materials characterisation from two of the worlds top universities. The students will also spend some time (at least 12 weeks) in industry or at an overseas univeristy receiving context specific training. The unique vision brought by this research training programme, therefore, is that our students will have a knowledge of materials characterisation that goes beyond narrow expertise in one or two experimental techniques, or a general overview of many, and instead cuts to the heart of what it means to be a leading experimentalist; with an inherent understanding of the nature of a scientific problem, the fundamental principles and intellectual tools required to address the problem, the technical knowledge and craft to apply the most appropriate experimental technique to obtain the necessary information and the critical and analytical skill to extract the solution from the data. The vision will be realised by exploiting the unique experimental infrastructure provided by UCL and ICL. The first year will be an MRes structure with the entire cohort receiving laboratory based practical training in techniques ubiquitous to modern day materials characterisation such as vacuum technology, scanning probe microscopy, optical characterisation techniques and clean-room processing. Key analytical skills will be taught such as data handling, manipulation and interpretation, practiced on real data, exploiting facilities such as Imperials ToF-SIMS analysis suite and UCL chemistry's material modelling user interface. We will engage with industry to generate genuine problem-based characterisation case studies so that elements of the course will be founded on problem based learning. Visiting professors such as Mark Dowsett (Warwick University) and Hidde Brongersma(Calipso BV) will contribute to the training experience and some external courses will be used for specialist training, for example at ISIS. Traditional lectures will be limited in number with every sub-topic leading into an interactive problem class run by one of our extensive number of industry partners. In our CDT ACM the thrill of solving class problems together and of competing in team-based experimental challenges will produce a highly engaged, critically minded, close-knit team of students.

Quantum technologies promise a transformation of measurement, communication and computation by using ideas originating from quantum physics. The UK was the birthplace of many of the seminal ideas and techniques; the technologies are now ready to translate from the laboratory into industrial applications. Since international companies are already moving in this area, there is a critical need across the UK for highly-skilled researchers who will be the future leaders in quantum technology. Our proposal is driven by the need to train this new generation of leaders. They will need to be equipped to function in a complex research and engineering landscape where quantum physics meets cryptography, complexity and information theory, devices, materials, software and hardware engineering. We propose to train a cohort of leaders to meet these challenges within the highly interdisciplinary research environment provided by UCL, its commercial and governmental laboratory partners. In their first year the students will obtain a background in devices, information and computational sciences through three concentrated modules organized around current research issues. They will complete a team project and a longer individual research project, preparing them for their choice of main research doctoral topic at the end of the year. Cross-cohort training in communication skills, technology transfer, enterprise, teamwork and career planning will continue throughout the four years. Peer to peer learning will be continually facilitated not only by organized cross-cohort activities, but also by the day to day social interaction among the members of the cohort thanks to their co-location at UCL.

The proposed EPSRC CDT in the Science and Applications of Graphene and Related Nanomaterials will respond to the UK need to train specialists with the skills to manipulate new strictly two-dimensional (2D) materials, in particular graphene, and work effectively across the necessary interdisciplinary boundaries. Graphene has been dubbed a miracle material due to the unique combination of superior electronic, mechanical, optical, chemical and biocompatible properties suitable for a large number of realistic applications. The potential of other 2D materials (e.g. boron nitride, transition metal and gallium dichalcogenides) has become clear more recently and already led to developing 'materials on demand'. The proposed CDT will build on the world-leading research in graphene and other 2D nanomaterials at the Universities of Manchester (UoM) and Lancaster (LU). In the last few years this research has undergone huge expansion from fundamental physics into chemistry, materials science, characterization, engineering, and life sciences. The importance of developing graphene-based technology has been recognized by recent large-scale investments from UK and European governments, including the establishment of the National Graphene Institute (NGI) at UoM and the award of 'Graphene Flagship' funding by the European Commission within the framework of the Future and Emerging Technologies (Euro1 billion over the next 10 years), aiming to support UK and European industries.Tailored training of young researchers in these areas has now become urgent as numerous companies and spin-offs specializing in electronics, energy storage, composites, sensors, displays, packaging and separation techniques have joined the race and are investing heavily in development of graphene-based technologies. Given these developments, it is of national importance that we establish a CDT that will train the next generation of scientists and engineers who will able to realise the huge potential of graphene and related 2D materials, driving innovation in the UK, Europe and beyond. The CDT will work with industrial partners to translate the results of academic research into real-world applications in the framework of the NGI and support the highly successful research base at UoM and LU. The new CDT will build directly on the structures and training framework developed for the highly successful North-West Nanoscience DTC (NOWNANO). The central achievement of NOWNANO has been creating a wide ranging interdisciplinary PhD programme, educating a new type of specialist capable of thinking and working across traditional discipline boundaries. The close involvement of the medical/life sciences with the physical sciences was another prominent and successful feature of NOWNANO and one we will continue in the new CDT. In addition to interdisciplinarity, an important feature of the new CDT will be the engagement with a broad network of users in industry and society, nationally and internationally. The students will start their 4-year PhD with a rigorous, bespoke 6-month programme of taught and assessed courses covering a broad range of nanoscience and nanotechnology, extending beyond graphene to other nanomaterials and their applications. This will be followed by challenging, interdisciplinary research projects and a programme of CDT-wide events (annual conferences, regular seminars, training in transferable skills, commercialization training, outreach activities). International experience will be provided by visiting academics and secondments to overseas partners. Training in knowledge transfer will be a prominent feature of the proposed programme, including a bespoke course 'Innovation and Commercialisation of Research' to which our many industrial partners will contribute, and industrial experience in the form of 3 to 6 months secondments that each CDT student will undertake in the course of their PhD.

We will establish the primary global manufacturing research hub for Compound Semiconductors that brings together Academic and Industrial researchers. This will capitalize on existing academic expertise in Cardiff, Manchester, Sheffield and UCL and the UK indigenous corporate strength in the key advanced materials technology of Compound Semiconductors. Cardiff, the Compound Semiconductor Centre and the other spoke universities will provide > £100M of additive capital leverage to the Hub, providing European leading facilities for large scale compound semiconductor epitaxial growth, device fabrication and characterisation enabling the most effective translation of research to manufacturing. The hub will operate at the necessary scale and with the necessary reach to change the approach of the UK compound semiconductor research community to one focused on starting from research solutions that can be manufactured. It will do this by providing the necessary tools and expertise and will become the missing exploitation link for the UK compound semiconductor research community. It will be a magnet and the driver for high technology industry and will act as the focal point for Europe's 5th Semiconductor Cluster and the 1st dedicated to compound semiconductors. Partners will include local and UK companies and global organisations. The importance of compound semiconductor technology cannot be overstated. It has underpinned the internet and enabled megatrends such as Smart Phones and Tablets, satellite communications / GPS, Direct Broadcast TV, energy efficient LED lighting, efficient solar power generation, high capacity communication networks, data storage, ground breaking healthcare and biotechnology. Silicon has supported the information society in the 20th century and dominates memory and processor function, but is reaching fundamental limits. Whilst the combination of Silicon and compound semiconductors will produce a second revolution in the information age, they are very different materials with, for example, different fundamental lattice constants and different thermal properties and have different device fabrication requirements. We propose research into large scale Compound Semiconductor manufacturing and in manufacturing integrated Compound Semiconductors on Silicon. The scale of the hub means we can bring together three world leading researchers in the growth of compound semiconductors on Silicon. Each has individually invented different solutions to tackle the silicon / compound semiconductor interface - together they will invent the universal solution. We will solve the scientific challenges in wafer size scale-up, process statistical control and integrated epitaxial growth and processing to facilitate new devices and integrated systems and open up completely new areas of research, only possible with reliable and reproducible fabrication, such as electronically controlled Qubits. We will facilitate the improved communication infrastructure necessary for the connected world and the integrated systems of the Internet of Things. We will produce large area integrated sensor arrays for, e.g. in-process Non-Destructive Testing, further benefiting manufacturing but also improving our safety and security. The key outcomes will be to 1) To radically boost the uptake and application of Compound Semiconductor technology by applying the manufacturing approaches of Silicon to Compound Semiconductors, 2) To exploit the highly advantageous electronic, magnetic, optical and power handling properties of Compound Semiconductors while utilising the cost and scaling advantage of silicon technology where best suited and 3) To generate novel integrated functionality such as sensing, data processing and communication.