Chemistry and Mathematics in Phase Space (CHAMPS)

为期6年的Champs计划补助金(PG)解决了为理解和利用现代化学和化学生物学实验和模拟产生的动态信息爆炸提供框架的迫切需要。通过发展非线性动力学的方法，用相空间表示取代这些固有的多维数据集的普遍存在的构形空间投影，将有可能提供捕捉复杂系统关键动力学的可理解模型。这些新模型将彻底改变我们对化学变化的理解，对所有依赖于了解化学变化的行业产生影响，从制药行业到快速发展的能源行业。就其性质而言，这项研究将对EPSRC的各种研究主题产生影响，包括医疗保健、能源和环境变化。由于这项工作需要数学家和化学家之间史无前例的合作，它将在EPSRC强调对其战略至关重要的几个主题之间架起桥梁。接受该项目培训的年轻科学家将拥有无与伦比的跨学科技能，并在未来几十年为英国提供研究领导地位。特别是，我们预计他们将创建自己的新研究领域，从而继续吸引世界各地最优秀的年轻科学家来到英国。对于提供必要的质量、灵活性和范围，以应对本提案中提出的重大科学跨学科挑战，PG是至关重要的。另一种资助模式是个别拨款给私人助理和独立研究机构，这将使私人助理协会局限于特定的研究小组，从而维持传统的学科分离，而我们正寻求打破这种分离。

The 6 year CHAMPS Programme Grant (PG) addresses the urgent need to provide a framework for understanding and exploiting the explosion in dynamical information coming out of modern experiments and simulations in chemistry and chemical biology. By developing methods in nonlinear dynamics to replace the ubiquitous configuration-space projections of these inherently multidimensional datasets with phase-space representations, it will be possible to provide comprehensible models that capture the key dynamics of complex systems. These new models will revolutionise our understanding of chemical transformation, with impacts on all industries that rely on understanding chemical change, from the pharmaceutical industries to those in the rapidly developing energy sector. By its very nature, the research will have impact on a wide variety of EPSRC research themes, including health care, energy, and environmental change. And because the work requires an unprecedented partnership between mathematicians and chemists, it will bridge several themes that EPSRC has highlighted as critical to its strategy. The young scientists trained in this programme will have unmatched interdisciplinary skills, and provide UK research leadership for decades to come. In particular, we expect that they will be creating their own new fields of study, and will thereby carry on attracting the best young scientists from around the world to come to the UK. A PG is vital to provide the critical mass, flexibility and scope needed to tackle the major scientific cross-disciplinary challenges set out in this proposal. The alternative funding model of individual grants to the PI and CoIs would leave the PDRAs localised in particular research groups and thereby maintain the traditional disciplinary separation, which we are seeking to break down.