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molecular dynamics; and enhanced-sampling free-energy methods (e.g., metadynamics and thermodynamic integration) to quantify adsorption and interfacial reaction processes. The research also includes method
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programming and scientific computing Prior experience or coursework in density functional theory, molecular dynamics, or machine learning is advantageous Effective communication skills in English Interest in
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National Institute of Research and Development for Electrochemistry and Condensed Matter | Romania | 19 days ago
access the information beyond the molecular weight of the analyte. Int J Anal Chem. 2012;2012:282574. doi:10.1155/2012/282574 de Hoffmann E, Stroobant V., Mass Spectrometry - Principles and Applications
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Goethe University Frankfurt am Main invites applications for two positions of Professor (W2 or W3) in cellular biochemistry and Professor (W2 or W3) in molecular biochemistry as part of the SCALE
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Instituto de Investigação e Inovação em Saúde da Universidade do Porto (i3S) | Portugal | 18 days ago
immunotherapy have been introduced in the treatment schemes of GC, but their positive impact in patient survival is still modest. Thus, identification of molecular mechanisms that may have a more significant
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an LLM-assisted software framework for first-principles simulations, thereby gaining extensive experience within scientific software development and AI-driven workflow automation. The work will initially
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, reaction kinetics and dynamics, and theory/simulation of ultrafast time-resolved experiments. will be a part of the Physical Chemistry section at DTU Chemistry (https://www.kemi.dtu.dk/english/research
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barrier in the planned KBS-3 concept for final disposal of spent nuclear fuel. The PhD student will develop, apply, and combine theoretical molecular dynamics (MD) simulations with experimental techniques
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4.2.4 — Prior experience of at least 4 years in metal separation and recovery and/or computational simulation (thermodynamic software such as COSMO; molecular dynamics). 4.3 — The exclusion decision in
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barrier in the planned KBS-3 concept for final disposal of spent nuclear fuel. The PhD student will develop, apply, and combine theoretical molecular dynamics (MD) simulations with experimental techniques