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List of works by Gustavo M Dalpian

Ab Initio Simulations and Materials Chemistry in the Age of Big Data

scientific article published on 07 November 2019

Cobalt-doped ZnO nanocrystals: quantum confinement and surface effects from ab initio methods ⬇️

scientific article published on August 13, 2013

Controlling the Activation Energy for Single-Ion Diffusion through a Hybrid Polyelectrolyte Matrix by Manipulating the Central Coordinate Semimetal Atom

scientific article published on 02 December 2019

High-throughput inverse design and Bayesian optimization of functionalities: spin splitting in two-dimensional compounds

publication published on 29 April 2022

Interaction of Water with the Gypsum (010) Surface: Structure and Dynamics from Nonlinear Vibrational Spectroscopy and Ab Initio Molecular Dynamics

scientific article published on 03 December 2018

Preface to the Forum on Materials Discovery and Design

scientific article published on 01 July 2019

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