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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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initio molecular dynamics simulations Quantum dynamics simulations Computational quantum chemistry for chemical reactions Qualifications For Postdoctoral Researchers: Ph.D. in Chemistry, Materials Science
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some of the following areas: molecular dynamics, Monte Carlo simulations, statistical mechanics, computer programming (e.g., C++, Python), polymer theory, molecular modeling (e.g., of proteins, nucleic
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. Strong knowledge of heterogeneous catalysis and computational chemistry. Experience with computational modeling (i,e, DFT, and/or molecular dynamics). Familiarity with software such as Material Studio
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of tomorrow and creating novel solutions to major global challenges. Our community is made up of 13 000 students, 400 professors, and more than 4 500 other faculty and staff working on our dynamic campus in
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molecular dynamics and path integral simulation methods, machine learning techniques, and electronic structure techniques. Additional background in statistical mechanics and deep eutectic solvents is highly
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of tomorrow and creating novel solutions to major global challenges. Our community is made up of 13 000 students, 400 professors, and more than 4 500 other faculty and staff working on our dynamic campus in
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—from cold interstellar ices to the early stages of planetary systems. The successful candidate will contribute to experimental studies simulating interstellar ice environments under controlled
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Hydrogen is expected to play a key role in the energy and fuel mix of future sustainable transport systems. However, due to its small and light molecular structure, hydrogen exhibits significantly
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thereafter. The project Currently, plant ingredients are often refined to almost molecular purity - and then combined again to create structured foods. This isolation is resource intensive, and the removal