Sort by
Refine Your Search
-
Listed
-
Country
-
Employer
- MOHAMMED VI POLYTECHNIC UNIVERSITY
- ICN2
- KINGS COLLEGE LONDON
- University of California Berkeley
- CIC energiGUNE
- Eindhoven University of Technology (TU/e)
- Fundación IMDEA Nanociencia
- Iowa State University
- King's College London
- Shenzhen University
- University of Amsterdam (UvA)
- University of Nottingham
- 2 more »
- « less
-
Field
-
of enantiomeric excess. Experience in using/applying density functional theory (DFT) Evidence of independent funding Downloading a copy of our Job Description Full details of the role and the skills, knowledge and
-
using molecular mechanics and hybrid QM/MM methods. Applying density functional theory, correlated wavefunction methods (e.g., MP2, CCSD(T)), and multiconfigurational approaches (e.g., CASSCF, CASPT2
-
. Experience in asymmetric synthesis and the determination of enantiomeric excess. 2. Experience in using/applying density functional theory (DFT) 3. Evidence of independent funding
-
behavior within the storage system to optimize design and performance. Demonstrated proficiency in Density Functional Theory (DFT) and/or Molecular Dynamics (MD) simulations, enabling the computational
-
advanced characterization methods of inorganic materials and their assemblies, ideally with a focus on battery materials. Demonstrated proficiency in Density Functional Theory (DFT) and/or Molecular Dynamics
-
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
-
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
-
to) SIESTA (www.siesta-project.org) and its TranSIESTA functionality. SIESTA is a multi-purpose first-principles method and program, based on Density Functional Theory, which can be used to describe the atomic