Joana is a computational chemist focused on studying solid-state materials, particulary stability and thermal propeties of inorganic compounds employing Density Functional Theory.

CV

• Jan 2022 - Present : PhD Student of “Computational Materials Design Group” at the Federal Institute for Materials Research and Testing (supervision of Prof. Dr. Janine George)
• Apr 2019-Sep 2021: MSc in Applied Chemistry, “Thermodynamics and defects of folded graphene” at Universidad Técnica Particular de Loja (supervision of Dr. Jorge Ontaneda with colaboration of Dr. Ricardo Grau-Crespo group)
• Sep 2007–Dec 2013: BSc. Chemical Engineering, “Catalytic dissociation of NaNO3 on irregular surfaces of Cu, Pd, and Rh: DFT study” at Universidad Técnica Particular de Loja (supervision of Dr. Silvia González Pérez)

Publications

1. Heat capacity estimation of complex materials for energy technologies
2. Atomate2: modular workflows for materials science
3. Synthesis and phase purity of the negative thermal expansion material $ZrV_{2}O_{7}$
4. Dopamine Adsorption on Rutile $TiO_2$(110): Geometry, Thermodynamics, and Core-Level Shifts from First Principles
5. The closed-edge structure of graphite and the effect of electrostatic charging
6. Fisicoquímica: un nuevo enfoque por competencias, ISBN 9786075501758

Contact

• Email : joana.bustamante@bam.de
• ResearchGate : Joana Bustamante