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Updated: Aug 18, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Zori 1.0: a parallel quantum Monte Carlo electronic structure package
Alán Aspuru-Guzik1, Romelia Salomón-Ferrer, Brian Austin
1Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California at Berkeley, Berkeley, California 94720-1460, USA. alan@aspuru.com
Abstract:
The Zori 1.0 package for electronic structure computations is described. Zori performs variational and diffusion Monte Carlo computations as well as correlated wave function optimization. This article presents an overview of the implemented methods and code capabilities.
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