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the development of hierarchical computational materials discovery schemes combining random structure searching, machine learning, atomistic, and density functional theory (DFT) calculations to accurately and
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validate polarizable force field models. Responsibilities will include both macroscopic property analysis (e.g., density, diffusion coefficients, ion conductivity, interfacial tension) and atomistic-level
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benefit from close collaboration with leading experts in chemical synthesis, advanced characterization, and atomistic simulations. Located in the Zurich Area, Empa offers outstanding infrastructure, a broad
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areas (i) Non-adiabatic chemical dynamics, (ii) Physics of charge transport in the solid state, (iii) QM/MM methods, (iv) Atomistic classical simulations of macromolecules (v) Biophysics. You can write
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broad experience in the development of electronic structure methods and their application in order to perform atomistic simulations of molecules and materials. These include (but are not restricted
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this highly collaborative role, your work will be responsible for developing multi-scale models, spanning from the atomistic to the meso-scale, and performing the simulations that will feed into the model
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) at Rutgers University invites applications for a research scientist position, who will work with Dr. Ahmed Aziz Ezzat at ISE to support a project of designing data-driven models for large-scale atomistic
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properties at an atomistic, electronic and structural level. Applicants should possess or be close to obtaining a PhD in physics, materials science, or physical chemistry. They should be highly experienced in
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investigation and will develop an advanced computer modeling framework. By simulating processes at various scales, from the atomistic to continuum, we aim to reveal how temperature and saturation fluctuations
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experience in developing electronic structure methods and their application to perform atomistic simulations of molecules and materials. These include (but are not restricted to) SIESTA (www.siesta-project.org