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), uncertainty quantification, and atomistic simulations within the FNR-funded UMLFF project. MLFFs have transformed atomistic simulations, offering quantum-chemical accuracy for large systems. However, they
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of Rome Tor Vergata. Deadline for EOI applications: 21 February 2026. The PhD project will focus on the development of fully atomistic multiscale theoretical and computational approaches to describe light
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and Simulation Group at ICN2 conducts cutting-edge research in computational materials science, focusing on electronic structure methods, atomistic simulations, and multiscale modelling. The group
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methods to simulate between functional chemically active surfaces and molecules/liquids. Central methodologies include: static DFT calculations; TBMD and AIMD; classical atomistic and coarse-grained
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will focus on the atomistic simulation of mineral oxide/liquid water interfaces that are of relevance to solar fuel production, decontamination of soil and geochemical transformations. The simulations
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SD- 26053 PHD IN ULTRA-FAST MACHINE-LEARNING INTERATOMIC POTENTIALS FOR NANOINDENTATION OF TIC MA...
Temporary contract | 14 + 22 + 14 months | Belvaux Are you fascinated by data-driven atomistic simulations for materials science? So are we! Come and join us. We seek a highly motivated and capable
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the Forschungsverbund Berlin (https://www.fv-berlin.de/ ) and the Leibniz Association www.leibniz-gemeinschaft.de . You can find more details on the institute webpage: www.ikz-berlin.de . The Section Fundamental
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of dissertation topics: Development of Machine Learning Frameworks for Reactive Atomistic Materials Modeling (DSP II) Profile of the graduate This Ph.D. program is an interdisciplinary study combining physical
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+ 22 + 14 months | Belvaux Are you fascinated by data-driven atomistic simulations for materials science? So are we! Come and join us. We seek a highly motivated and capable PhD candidate to develop and
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nonequilibrium conditions at different length and time scales. Complementary, the candidate will be involved in the comparison between experiments and molecular dynamics simulations of the atomistic dynamics