Alexandria

1. The Alexandria Library is as an open access quantum-chemical database of molecular optimized geometries, frequencies, thermochemistry, polarizability and molecular electric moments for organic and inorganic molecules. Read more in references 1 and 2. Feel free to download it and apply it to your own research.
2. The Alexandria Force Field - a new set of parameters to bring classical simulation closer in accuracy to quantum chemistry. The first papers are 3 and 4.

References

1. Mohammad Mehdi Ghahremanpour and Paul van Maaren and Jonas Ditz and Roland Lindh and David van der Spoel Large-Scale Calculations of Gas Phase Thermochemistry: Enthalpy of Formation, Standard Entropy and Heat Capacity J. Chem. Phys. 145 pp. 114305 (2016)
2. Mohammad Mehdi Ghahremanpour and Paul van Maaren and David van der Spoel The Alexandria Library: A Quantum-Chemical Database of Molecular Properties for Force Field Development Sci. Data 5 pp. 180062 (2018)
3. Mohammad Mehdi Ghahremanpour, Paul J. van Maaren, Carl Caleman, Geoffrey R. Hutchison and David van der Spoel Polarizable Drude Model with s-type Gaussian or Slater Charge Density for General Molecular Mechanics Force Fields J. Chem. Theory Comput. (2018)
4. Marie-Madeleine Walz, Mohammad Mehdi Ghahremanpour, Paul J. van Maaren and David van der Spoel Phase-Transferable Force Field for Alkali Halides J. Chem. Theory Comput. (2018)