Protein folding on 2D Lattice model with MJ interaction potentials

This work is based on these previously published manuscripts:

• (2012 Perdomo-Ortiz) Finding low-energy conformations of lattice protein models by quantum annealing
• (2013 Babbush) Construction of Energy Functions for Lattice Heteropolymer Models: A Case Study in Constraint Satisfaction Programming and Adiabatic Quantum Optimization

This project presents two implementations for solving the problem of protein folding on a 2D Lattice model:

• Simulated Annealing Monte Carlo simulation: i-th amino acid positions are simulated as random walks relative to previous residue
• QBit representation using Turn Encoding of Self-Avoiding Walks: The objective energy function has been constructed
  • Simulated annealing implementation on conventional CPU
  • Quantum annealing on QPU

Results

• Protein folding simulated annealing
  • 6 amino acid
  • 10 amino acid
• Protein folding, turn ancilla quantum annealing model, simulated annealing
  • 6 amino acid
• Protein folding, turn ancilla quantum annealing model, use QPU
  • 6 amino acid

Slides available

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