使用机器学习原子间势建模动力学与反应性的 DPhil 博士研究员
DPhil Studentship in Computational Chemistry
原帖优先：申请材料、截止时间与资格以原帖和学校官方说明为准。
AI 中文速览
- 研究内容
- 候选人将加入牛津大学化学系Duarte课题组，开发创新策略以生成能够准确捕捉金属-配体相互作用动态特征的机器学习原子间势（MLIPs）。这些模型将实现对催化、超分子化学和生物学相关复杂系统中结构、热力学和动力学性质的预测性模拟。
- 申请条件
- 申请人应拥有化学或相关学科的一等或强二等高级本科学位，具有强烈的科研承诺，并表现出独立学习新技能的能力。
- 待遇
- 该奖学金涵盖Home标准的课程学费，并提供不低于英国研究委员会标准费率（目前为每年21,805英镑）的生活津贴，资助期限为4年。
- 申请方式
- 候选人须通过牛津大学在线申请系统提交化学 DPhil 的正式申请，并在‘Departmental Studentship Applications’栏目下填写参考编号 FD/Chem/2027。申请截止时间为英国时间 2027年1月6日星期三中午 12:00。
由 gemini-2.5-flash-lite 生成，博士岗判定置信度 100%。
岗位信息
- 截止
- （Europe/London） 剩 82 天
- 学科
- 化学
- 合同类型
- 雇佣合同
- 原文薪资
- GBP 21,805 / 年（税前）
- 税后月薪（估）
- ¥13,700；房租后 ¥5,400
- 估算假设
- 单身、无子女、雇佣合同的粗略估算，以学校 offer 为准；扣除率 18%；汇率日期 2026-10-01
- 原帖发布
- 本站收录
- 内容更新
- 原帖导师候选（待核验）
- Professor Fernanda Duarte
- 来源
- jobs.ac.uk（英国博士项目及学术招聘） · 最近核对 2026-10-15
- 详情核验
判定依据（原文摘录）
- 这是一个博士（DPhil）培养机会
Applications are invited for a fully funded DPhil studentship in Machine Learning Interatomic Potentials for Metal-Ligand Interactions
- 导师为 Professor Fernanda Duarte
to work under the supervision of Professor Fernanda Duarte in the Department of Chemistry at the University of Oxford.
- 奖学金提供学费与生活津贴
The studentship will cover course fees at a Home rate and provide a stipend of no less than the standard UK Research Council rate (currently set at £21,805 p.a.) for 4 years.
原文
Title: Modelling dynamics and reactivity with Machine Learning Interatomic Potentials
Supervisor: Professor Fernanda Duarte
Start date: 1 st October 2027
Applications are invited for a fully funded DPhil studentship in Machine Learning Interatomic Potentials for Metal-Ligand Interactions available from October 2026, to work under the supervision of Professor Fernanda Duarte in the Department of Chemistry at the University of Oxford.
The studentship will cover course fees at a Home rate and provide a stipend of no less than the standard UK Research Council rate (currently set at £21,805 p.a.) for 4 years. Please see: https://www.ox.ac.uk/students/fees-funding/fees/status for more information.
The successful candidate will join the Duarte group in the Department of Chemistry to develop innovative strategies for generating Machine Learning Interatomic Potentials (MLIPs) that accurately capture the dynamic nature of metal-ligand interactions. These models will enable predictive simulations of structural, thermodynamic, and kinetic properties in complex systems relevant to catalysis, supramolecular chemistry, and biology. The candidate will benefit from close collaboration with experimentalists, training in a range of computational techniques, as well as being part of a supportive, diverse, and international research team. The Duarte group focuses on the development and application of computational approaches to model chemical processes across multiple size and time scales. The team has pioneered methodologies for exploring chemical reactivity, including tools such as autodE and mlp-train , which form the foundation of this project. More information can be found on the group website .
Candidates with a first-class or strong upper second-class undergraduate degree in Chemistry or a related subject are encouraged to apply. The candidate is expected to have a strong commitment to research and should have demonstrated the ability to independently learn new skills. The successful applicant will be based in the Physical and Theoretical Chemistry Laboratory (PTCL), Oxford.
Candidates should submit a formal application for DPhil in Chemistry via the Oxford online application system via the 'Apply' button above.
Please quote FD/Chem/2027 under ‘Departmental Studentship Applications’.
Application deadline: 12.00 noon UK time on Wednesday, 6 th January 2027.
Queries relating to the application and admission process should be directed to: graduate.admissions@chem.ox.ac.uk ; tel.: +44 (0) 1865 272569.
The Department of Chemistry holds the Athena SWAN Silver Award and the Duarte group is dedicated to promoting diversity, equality and inclusion. £21,805 p.a.