Bronze revival:
- What are the methods for calculating solvation effects in free energies and how do they compare?
- How to find the projected Hamiltonian for lowest flat-band in general?
- Derivatives with respect to user defined vibrational modes
- Why do interaction potential parametrizations of bulk systems not work for corresponding nano-systems?
- What are typical RPA capabilities of plane-wave codes?
- How to set up a local server for iQmol on macOS?
- What is band inversion and how to recognize it in band structure?
- Generating interatomic potentials via force matching
- Which basis set families were optimized to give the lowest possible variational energy for a given number of orbitals?
- How to understand dynamical spin structure factor?
- What is the formula for calculating the local dielectric constant from MD output?
- Avoiding charge-migration in electronic structure calculations with solvent-like environments
- Benchmark transition state geometries in condensed phases
Silver necromancer:
- What kind of information can be extracted from alloy microstructure images converted to Fourier space?
- Where/when did the fields of Operations Research and Materials Modeling begin to cross-pollinate?
- How can reactivity indices be calculated in a time-dependent scheme?
- Alternatives to VEDA 4 vibrational energy distribution analysis software?
- Fermi level change in surfaces with adsorbed molecules
- How to calculate t-zero temperature using Thermo-Calc- Python (TCPython) for multiple alloys?
