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reactive molecular dynamics (MD) simulations to understand the reaction mechanisms at the atomic scale involved in the combustion of Aluminum and Iron nanoparticles. Aluminum burns in the gas phase while
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of Chemistry and Chemical Engineering. Essential Job Duties Use GROMACS for molecular dynamics (MD) and metadynamics (metaMD) computer calculations on G-Protein Coupled Receptors (GPCRs), as requested by the PI
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Use GROMACS for molecular dynamics (MD) and metadynamics (metaMD) computer calculations on G-Protein Coupled Receptors (GPCRs), as requested by the PI. Collaborate with Dr. Soo-Kyung Kim in
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disease makes it possible to propose this approach, which could lead to the development of a compound capable of compensating for the defect. • Conduct research in Molecular Dynamics Simulation with a
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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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spectroscopic methods, to work under the supervision of Professor Kirrander for a period of up to one year. The project involves electronic structure calculations, quantum molecular dynamics simulations
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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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) group at Rutgers University is seeking a postdoctoral researcher with interest and background in crystalline interfaces (grain and phase boundaries), dislocation theory, and molecular dynamics simulations
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, computational Biochemistry, biophysics, chemistry and should have experience of setting up, running and analysing molecular dynamics simulations. You should have experience of simulations of large multicomponent
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. Molecular dynamics and Monte Carlo simulations will be performed to generate training data and evaluate models. All results will be disseminated through conference presentations and peer-reviewed publications