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Field
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optimization code used, particularly for automated transition state searches. • Perform molecular dynamics simulations to estimate thermodynamic/macroscopic properties. IPREM brings together over 300 staff
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materials using statistical mechanics, molecular simulations, and machine learning. Expectations Candidates will be responsible for: Developing multi-scale modeling methods for polymeric materials, using
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University of North Carolina at Chapel Hill | Chapel Hill, North Carolina | United States | 13 days ago
Computational Medicine Program at the University of North Carolina – Chapel Hill (http://miaolab.org ) invites applications for a Postdoctoral position in AI driven drug discovery and accelerated molecular
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a dynamic and ambitious research group with a strong focus on genetic, molecular, and functional analyses of B cell and antibody responses. The project will include laboratory-based research
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is close. Our cohesive campuses make it easy to meet, work together and exchange knowledge, which promotes a dynamic and open culture. The ongoing societal transformation and large green investments in
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is close. Our cohesive campuses make it easy to meet, work together and exchange knowledge, which promotes a dynamic and open culture. The ongoing societal transformation and large green investments in
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with surface science. Experience with molecular dynamics simulations and at least basic knowledge of machine-learning approaches for atomistic modeling are highly desirable. Skills in Python and
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theoretical models and numerical tools (master equations, quantum trajectory simulations) to investigate coupling regimes, dynamical phase transitions, and the effects of collective dissipation on coherence and
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preferred, but not required) are desired. Experiences with catalysis (biological, homogeneous, or heterogeneous), excited-state simulation methods, multiscale simulations (broadly defined), molecular dynamics
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or molecular dynamics, while also developing deep expertise in one or more complementary areas, including: Protein chemistry of small GTPases, kinases, SLC transporters, and metabolic enzymes. Chemical biology