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related field. Strong computational chemistry background in atomistic simulations, electronic-structure theory, DFT, structure-property relationships, and interpretation of simulation results. Hands-on
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funded GETCO2 projects and collaborate with experimental researchers. Your key responsibilities will be to: perform first-principles/DFT studies of electrocatalytic reactions, catalyst surfaces and
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, crystal structure prediction, density functional theory (DFT) calculations of NMR parameters, powder X-ray diffraction, and other complementary analytical techniques. The postdoctoral researcher will be
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intelligence for materials and catalysis. Strong programming skills in Python; experience with scientific computing and data analysis. Experience with first-principles calculations (e.g., DFT
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position, please contact Duy Le at [email protected]. Responsibilities: The Postdoctoral Associate’s Responsibilities include but are not limited to: Performing computational modeling using DFT, GC-DFT
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University of North Carolina at Chapel Hill | Chapel Hill, North Carolina | United States | about 2 hours ago
perform DFT calculations and develop methods to accelerate the design of defects in semiconductors. This position offers exciting opportunities to collaborate with experiment and theory groups
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at the start of a campaign. Your role will be to build a computational ligand library using DFT and cheaper surrogate models, integrate it into closed-loop self-driving labs at NCSU, and establish a
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Post Doctoral Scholar will focus on computation and simulation of electrolyte and interface in electrochemical devices. Candidates should have skills in performing DFT calculations, MD simulation and
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Post Doctoral Scholar will focus on computation and simulation of electrolyte and interface in electrochemical devices. Candidates should have skills in performing DFT calculations, MD simulation and
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. Experience with DFT or quantum-chemical calculations is also preferred. Department Contact for Questions Questions regarding the position or application process can be directed to: Prof. Wentz, Department of