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simulations to identify key mechanistic drivers of viral persistence and immune response, and use SciML to automatically select ODE/PDE models that include these mechanisms. The postdoc will develop
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(broadly defined), molecular dynamics simulations, sampling techniques, machine learning, or quantum computing are big pluses. The candidate should have good communication skills, both oral and written, and
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research and student assistants. Major/Essential Functions The Liang Group is seeking a motivated and independent postdoc to work on the multiscale simulation of photoactive proteins. Responsibilities
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nanocrystals and carry out Brownian and molecular dynamics simulations of their self-assembly behavior in solution, on surfaces, or trapped at fluidfluid interfaces. 2) Carry out free energy calculations using
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, molecular dynamics simulations using ab initio and machine-learning potentials, and the development or application of machine-learning tools for feature extraction, property prediction, and inverse molecular
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photo-bases. The work will focus on modeling of adiabatic and nonadiabatic photochemical processes to capture excited states dynamics using an array of ab initio molecular dynamics methods for excited
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. Develop and apply ab initio computations, molecular dynamics simulations, and machine learning models. Collaborate with other researchers within the group and external partners. Present research findings
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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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University of North Carolina at Chapel Hill | Chapel Hill, North Carolina | United States | 2 days ago
to work on accelerated molecular simulations and AI-driven drug discovery. Research projects in the Miao Lab include development of novel theoretical and computational methods and AI techniques