AbstractRecently, molecular simulations have benefited greatly from the development and subsequent application of deep-learning methods. In this talk, we will discuss how machine-learning methods can be combined with enhanced sampling techniques to speed up molecular dynamic simulations. We will then discuss about our recent effort on learning from Alphafold2 to reproduce and improve protein st...
AbstractThis talk focuses on the simulation of fermionic systems on arbitrary graphs, including two-dimensional lattices. We start by examining the one-dimensional Jordan-Wigner transformation and its expansion to two-dimensional exact bosonization. This method is crucial for simulating fermions using emergent fermions in the ℤ2 toric code. We then discuss how fermionic observables and Pauli m...