Exploration of lattice Hamiltonians for functional and structural discovery via Gaussian process-based exploration–exploitation

  title={Exploration of lattice Hamiltonians for functional and structural discovery via Gaussian process-based exploration–exploitation},
  author={Sergei V. Kalinin and Mani Valleti and Rama K. Vasudevan and Maxim A. Ziatdinov},
  journal={arXiv: Materials Science},
Statistical physics models ranging from simple lattice to complex quantum Hamiltonians are one of the mainstays of modern physics, that have allowed both decades of scientific discovery and provided a universal framework to understand a broad range of phenomena from alloying to frustrated and phase-separated materials to quantum systems. Traditionally, exploration of the phase diagrams corresponding to multidimensional parameter spaces of Hamiltonians was performed using a combination of basic… 
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