-
with various compositions Performing ab initio-based calculations (e.g., DFT and AIMD) on supercomputers Applying finite element methods Simulation of the influence of substitution and/or doping
-
Performing ab initio-based calculations (e.g., DFT and AIMD) on supercomputers Applying finite element methods Simulation of the influence of substitution and/or doping on capacity, conductivity, and stability
-
to unfused enzymes. The successful candidate will Develop coarse-grained (CG) models for CAR and other enzymes of the cascade based on atomistic simulations provided by the project team. Run Brownian dynamics
-
machine learning methods and simulation techniques to understand environmental effects on the enzymes and improving their stability and activity Publishing the scientific results in international journals
-
Simulation and Data Lab `AI and ML for Remote Sensing,` which aims to enhance visibility in interdisciplinary research between applications from remote sensing and large-scale AI with high-performance and
-
Computing" focuses on the development of innovative methodologies for the parallelization of simulation algorithms as well as on the best exploitation of hardware architectures. In this context, we
-
Your Job: You will become part of our research team !Simulation and Data Lab Quantum Materials!, where you will conduct innovative research to improve scientific software codes---libNEGF, BigDFT