PhD in Porous Organic Cages for Solar-Energy Conversion at INMA, Zaragoza Instituto de Nanociencia y Materiales de Aragón in Spain

🔬 The Institute of Nanoscience and Materials of Aragón (INMA), Zaragoza, Spain, is advertising a fully funded PhD position in Computational Chemistry . The project sits at the interface of molecular photophysics , quantum chemistry , molecular dynamics , machine learning , and materials science . The research will focus on porous organic cages (POCs) for solar-energy conversion , aiming to understand and predict their photophysical properties using computational and data-driven methods. Eligibil...

PhD opportunity in Computational Chemistry at Instituto de Nanociencia y Materiales de Aragón (INMA), CSIC – Universidad de Zaragoza , in Zaragoza, Spain . The project focuses on porous organic cages and asks whether molecular cages can be turned into programmable tools for controlling light-driven chemistry . The research combines quantum chemistry , molecular dynamics , and machine learning to study how cage architecture and guest encapsulation affect excited states , electron transfer , and s...

ICMAB-CSIC is advertising a postdoctoral position in Modelling of Organic Materials within the DOMMINO Project . The opportunity is hosted by the Institut de Ciència de Materials de Barcelona (ICMAB-CSIC) , located at the UAB campus in Bellaterra (Barcelona), Spain. The post is focused on research in materials science , with strong relevance to chemistry , physics , and computational modelling of organic materials. Application deadline: 20 September 2026. No funding details, eligibility requirem...

BCAM - Basque Center for Applied Mathematics is offering a fully funded PhD position within the MSCA Doctoral Network e-ChemIn (DC5) in Bilbao, Spain. The project focuses on the in-silico reconstruction of solid-liquid and solid-solid electrochemical interfaces at the nanoscale , with applications in energy storage and conversion devices such as Na-ion batteries and catalytic systems for water oxidation. The doctoral research will develop inverse modelling and optimization methods that combine e...

Open PhD and Postdoc positions are available at the Max Planck Institute for Chemistry in Mainz, Germany, in the area of AI-driven molecular modeling for atmospheric organic reactions and multiphase/interfacial chemistry . The project is co-supervised by Prof. Yafang Cheng (Director, Aerosol Chemistry Department) and Dr. Huan Yang (Research Team Leader, Nanoscale Theory and Modeling). Research topics include autonomous reaction discovery using quantum chemistry, machine learning, and automation ...