上海招聘

Postdoc Computational Design of Functional Polymers

Background

The rational design of functional polymers with targeted application properties is of strong interest to both industry and

academia. Within this context, synthetic aspects play a key role: depending on the chemical structure of the monomers and reaction conditions, different polymer compositions and molecular weights can be obtained. Unfortunately, the underlying relationships are highly complex and they need to be established on a case-by-case basis. Solvay aims at speeding up the design of functional polymers by using a combination of computational tools, high-throughput experimentation, and machine learning techniques.

Vacancy description

We are looking for a computational chemist to improve the understanding of the reactivity of monomers of interest to Solvay,and ultimately build a database of computational monomer reactivity data. This data will be combined with experiments obtained at Solvay and academic partners, and explored by machine learning techniques. The objective is to develop robust predictive models for the synthesis of functional polymers.

The researcher will be part of a team dedicated to the modeling of chemical reactivity at SOLVAY’s Research &Innovation center in Shanghai. He / she will work in close collaboration with Solvay scientists and academic partners. This position is of particular interest to researchers who would like to apply quantum chemistry to problems of industrial interest, and become familiar with machine learning techniques.

Profile

Doctorate or post-doctorate in computational polymer or organic chemistry

Excellent track record in applying or developing quantum-chemical (DFT or wavefunction-based) methods for the

modeling of polymerization kinetics or reactivity in organic chemistry

Experience with one or more additional techniques, such as kinetic modeling, conformational search techniques,

simulation of solvent effects, …

Experience with machine learning / QSPR is not required but welcome

Ability to work independently, proactively, and problem-oriented

Proficient use of quantum-chemical software (Turbomole, Gaussian, Q-Chem, …)

Good English communication skills

Interest candidates are kindly asked to submit a letter of motivation, a CV, and 2 letters of recommendation.

作为一个全球性的化工集团，索尔维集团力求为化工行业寻求和实施更具责任感、更有价值的解决方案。集团矢志不渝地致力于可持续发展，并始终专注于创新和卓越经营。索尔维集团的产品被广泛应用于各行业领域，旗下90％的销售产品位居全球前三甲。集团总部设在比利时布鲁塞尔，在全球55个国家拥有约29,100名员工。索尔维集团（SOLB.BE）目前在布鲁塞尔和法国的泛欧交易所上市。

As an international chemical group, Solvay assists industry in finding and implementing ever more responsible and value-creating solutions. The Group is firmly committed to sustainable development and focused on innovation and operational excellence. Solvay serves diversified markets, generating 90% of its turnover in activities where it is one of the top three worldwide. The Group is headquartered in Brussels, employs about 29,100 people in 55 countries. Solvay SA SOLB.BE) is listed on NYSE Euronext in Brussels and Paris .