Sort by
Refine Your Search
-
Category
-
Country
-
Employer
-
Field
-
for the simulations with MD and DFT of zeolite catalytic processes, and will participate with the research group, to synchrotron coherent diffractive imaging experiments. This position is part of the funded FAPESP
-
deposition (ALD). The project involves performing quantum mechanical calculations (e.g., first principles density functional theory (DFT)) to identify the structures and to understand the complex mechanisms
-
between catalysts and reactants. Write scientific reports and research articles and participate in conferences. Candidate Profile PhD degree in Chemical Engineering, Materials Science, or a related field
-
national laboratories, providing excellent networking and career development prospects. Required Qualifications: PhD in Chemistry, Physics, Chemical Engineering, Materials Science, or related Disciplines
-
analysis with X-ray and entron diffraction. Property characterisation using a physical property measurement system (PPMS) and a SQUID magnetometer (MPMS). Ab-initio DFT calculations for property predication
-
CFD methods DFT and Molecular modelling linked to CCUS Strong analytical and problem-solving skills, with an ability to interpret and analyze simulation and/or experimental results. Ability to work in
-
proficiency in Density Functional Theory (DFT) and/or Molecular Dynamics (MD) simulations, enabling the computational investigation of material properties, electronic structure, and atomic-scale behavior
-
assemblies, ideally with a focus on battery materials. Demonstrated proficiency in Density Functional Theory (DFT) and/or Molecular Dynamics (MD) simulations, enabling the computational investigation
-
techniques. The research will integrate ab initio-based modeling and DFT calculations with experimental data to enhance the understanding and optimization of the proposed materials as sorbents or possible
-
functional theory (DFT) outputs for representative quantum paraelectrics and use these force fields to perform lattice-dynamics simulations with explicit quantum mechanical treatment of the nuclei. Profile A