Postdoctoral Researcher in Scientific Machine Learning and Computational Chemistry Lawrence Berkeley National Laboratory in United States

Texas A&M University is recruiting a postdoc for a collaborative project supported by the Welch Catalyst for Discovery Program . The position centers on the computational design of redox-active polymers for energy storage and other functional materials . The postdoc will develop and apply high-throughput quantum chemistry , molecular dynamics , and machine learning methods to accelerate polymer discovery and help identify promising new materials with experimental collaborators. The work will inv...

Richard Brutchey at the University of Southern California is seeking a postdoctoral researcher for the Brutchey Group. The project sits at the intersection of inorganic nanocrystal synthesis and machine learning , with a focus on applying ML methods to problems in inorganic synthesis. This opportunity is aimed at recent or soon-to-be Ph.D. graduates with a background in chemistry , materials science , or a closely related field. Strong experimental experience in inorganic synthesis is required, ...

PhD opportunity in Chemical Engineering at The University of Alabama with research focused on computational catalysis and materials design . The project combines atomistic simulations , machine learning , and computational chemistry/physics methods to understand and predict materials properties. Students will work with Python programming and methods based on wavefunction theory , density functional theory , classical force fields , and kinetic simulations . Candidates with a programming backgrou...

University at Buffalo is hiring a Postdoctoral Associate in Agentic AI × Computational Catalysis within the Peng Research Group . The position sits at the intersection of scientific AI , first-principles atomistic simulations , computational catalysis , and data-driven materials discovery , with primary support for the DOE Genesis Mission project. The postdoc will also benefit from access to world-class AI computing through Empire AI and collaboration with a multi-institutional DOE team. This op...

Argonne National Laboratory is recruiting a Postdoctoral Appointee in AI-driven computational catalysis within the Chemical Sciences and Engineering Division. This position sits at the intersection of computational catalysis , quantum chemistry , electronic structure theory , and artificial intelligence . The successful candidate will use first-principles and quantum mechanical calculations to study catalytic active sites and reaction pathways in heterogeneous catalytic systems, while also devel...