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Solutions of the many-­electron problem in materials: recent advances from quantum Monte Carlo

8/1/2018 ore 11:00    Dipartimento di Fisica, Aula Caldirola

Solutions of the many-­electron problem in materials: recent advances from quantum Monte Carlo
Mario Motta    Caltech, Pasadena, California, USA

One of the grand challenges in physics and chemistry is the accurate treatment of interacting many-electron systems. This is difficult because of the combinatorial growth of the dimension of the Hilbert space involved with system size, along with the high degree of entanglement produced by the combination of Fermi statistics and electron-electron interactions. Recently, significant advances have been achieved by a combination of methodological developments and powerful computational resources, which are leading to the solution of increasingly more complex and relevant problems. I will give an overview of some of these advances and will briefly discuss a computational framework that played an important role in them, the auxiliary-field quantum Monte Carlo (AFQMC) method. I will present the theoretical foundations of this method, and recently developed algorithms to compute important observables like density matrices and forces within AFQMC


Davide Galli      davide.galli@unimi.it  

 

08 gennaio 2019
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