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IT4Innovations National Supercomputing Center, VSB - Technical University of Ostrava | Czech | 11 days ago
dynamics using such atomistic simulators as VAMPIRE, UppsASD, LAMMPS with SPIN package, mumax3 or similar (ab initio methods would be a strong advantage). We offer: · work in a promising organization
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discipline Apply: https://mgician.eu/research/doctoral-candidate-projects/dc3/ DC4: Atomistic Modelling and Design of Thermoelectric Materials and Interfaces Host: King’s College London (KCL), London
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University of North Carolina at Chapel Hill | Chapel Hill, North Carolina | United States | 1 day ago
inform observable macroscopic properties as part of the activities of the UNC Superfund Research Program (SRP) (https://sph.unc.edu/superfund-pages/srp/). This work involves running, developing, and
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substrate effects using a combination of TB-SMA and Tersoff potentials. Perform atomistic simulations (molecular dynamics and Monte Carlo) to generate diverse and realistic structural configurations
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-based surface hopping (X-SH). Applications will be carried out in collaboration with experimental groups aiming to understand at atomistic resolution how electronic excitations (``excitons”) dissociate
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, the postdoctoral researcher will be responsible for contributing to the development of advanced methodologies for predicting crystal structures (CSP) based solely on their chemical composition and atomistic modeling
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NIST only participates in the February and August reviews. There is a growing need for high-performance materials for various technological applications. To address this need, the NIST-JARVIS (https
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. The objective of this PhD project is to use high pressure to obtain new polymorphic forms of poorly soluble APIs, combining experimental investigations and atomistic simulations. Two experimental approaches will
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challenging. We seek to address this measurement problem by developing a coherent strategy for integrating inputs from several critical experimental techniques to perform fully atomistic structural refinements
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approach must be combined with mechanistic models that describe the specific microstructure elements. A variety of inputs from both experimental work and simulations (i.e., first principle, atomistic, and/or