Postdoctoral Researcher in CC-PBC Response Methods for 1-3D Periodic Systems The University of Kansas in United States

PhD project at the University of Southampton in electronic structure theory for quantum dynamics on classical and quantum computers. This fully funded doctoral project sits in the Faculty of Engineering and Physical Sciences and is based in the School of Chemistry & Chemical Engineering . The research explores how molecules behave after photoexcitation by developing new methods for excited-state dynamics, with a strong focus on theoretical chemistry , scientific programming , quantum computing ,...

Postdoctoral position at Loyola University Chicago , Department of Chemistry & Biochemistry, in Chicago, Illinois, USA. The project is in the Lab of Dr. Pengfei Li (Associate Professor) and focuses on EF-hand metalloprotein modeling , including classical force field development and machine learning force fields . The work is tied to AMBER MD software and the MCPB.py program development. Applicants should have a PhD in chemistry, physics, biology, or molecular biology . Prior experience with prot...

Flatiron Institute’s Initiative for Computational Catalysis at the Simons Foundation is advertising a postdoctoral position (Flatiron Research Fellow) in computational catalysis . The research sits at the interface of machine learning , electronic structure theory , and statistical mechanics , with opportunities to contribute to scientific software and to develop and apply new methods for tackling fundamental problems in catalysis. This is a strong fit for candidates with backgrounds or interest...

Postdoctoral Associate in Artificial Intelligence and Quantum Chemistry at the University of Florida (Main Campus, Gainesville, Florida, United States). This postdoctoral opening sits at the interface of Artificial Intelligence , Machine Learning , and Quantum Chemistry , with a research focus on developing and implementing AI/ML techniques to extend and accelerate quantum chemical simulations of complex molecules and reactions. The project is led by Dr. Thorpe in the Department of Chemistry. El...

Lawrence Berkeley National Laboratory is advertising a postdoctoral position in the Energy Technologies & Systems Division in Berkeley, California, USA . The role sits in the Jain (HackingMaterials) group and the Applied Energy Materials group , working on autonomous AI-driven materials discovery and catalyst discovery across two DOE/ARPA-E projects. Research themes include building simulation agents to predict materials properties such as Li-ion conductivity , validating predictions against aut...