Imanuel Bier

The seventh blind test of crystal structure prediction: structure generation methods

Lily M. Hunnisett, Jonas Nyman, Nicholas Francia et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2024 · 64 citations · Full text

Materials Science, Inorganic Chemistry, X-ray Crystallography +15

Genarris 2.0: A random structure generator for molecular crystals

Rithwik Tom, Timothy Rose, Imanuel Bier et al. · Computer Physics Communications · 2020 · 34 citations · Full text

Computational Fluid Dynamics Studies of a Flow Reactor: Free Energies of Clusters of Sulfuric Acid with NH₃ or Dimethyl Amine

David R. Hanson, Imanuel Bier, B. Panta et al. · The Journal of Physical Chemistry A · 2017 · 32 citations

Crystal structure prediction of energetic materials and a twisted arene with Genarris and GAtor

Imanuel Bier, Dana O’Connor, Yun-Ting Hsieh et al. · CrystEngComm · 2021 · 28 citations · Full text

Crystal Structure, Engineering, Molecular Biology +18

Inverse Design of Tetracene Polymorphs with Enhanced Singlet Fission Performance by Property-Based Genetic Algorithm Optimization

Rithwik Tom, Siyu Gao, Yi Yang et al. · Chemistry of Materials · 2023 · 23 citations · Full text

Materials Science, Singlet Exciton, Chemical Engineering +15