计算化学,理论和动态

主题铅 -安德鲁·埃博教授

计算化学:计算和使用计算方法来模拟,研究和预测分子和材料的结构,性质和反应性。

理论化学:新理论的发展,主要是基于量子机械原理,描述和预测化学性质,并解释实验观察。

动力学:使用实验和计算方法研究化学变化机制和率的研究,以及控制化学反应性的法律。

Cutting-edge experimental, theoretical and computational research methods allow us to observe, simulate and understand the processes involved in chemical change, including those of importance for chemical synthesis and catalysis, the evolving composition of the Earth’s atmosphere, the growth and properties of new materials, or the chemistry of biological organisms. Our expertise spans theoretical advances in quantum chemistry for calculation of molecular properties; development of software for simulation and visualization of chemical processes; accurate simulation of molecular, biochemical and solid-state systems; and direct observation of photochemical and reactive processes in the gas, liquid and solid phases, as well as in aerosol droplets, using advanced spectroscopic methods on timescales from femtoseconds upwards.

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