Lista de obras - Caetano R Miranda - Dominio Público Uruguay

Brine-Oil Interfacial Tension Modeling: Assessment of Machine Learning Techniques Combined with Molecular Dynamics

scientific article published on 19 March 2020

Comparison of thermodynamic stabilities and mechanical properties of CO2, SiO2, and GeO2 polymorphs by first-principles calculations ⬇️

artículo científico publicado el 21 de julio de 2012

Discovery of Low-Modulus Ti-Nb-Zr Alloys Based on Machine Learning and First-Principles Calculations

scientific article published on 09 December 2020

Electronic Structure of Water from Koopmans-Compliant Functionals

artículo científico publicado en 2021

First-principles calculations of H, O and OH adsorption on metallic layered supported thin films

scientific article published on 20 March 2013

First-principles calculations of carboxylic acid adsorption on carbonate surfaces: Chain size and aqueous interface effects

artículo científico publicado en 2022

Improved oil recovery in nanopores: NanoIOR.

artículo científico publicado en 2016

Infrared absorption of MgO at high pressures and temperatures: a molecular dynamic study

artículo científico publicado en 2009

Infrared and Raman spectra of silica polymorphs from an ab initio parametrized polarizable force field

artículo científico publicado en 2006

Interface tension of silica hydroxylated nanoparticle with brine: a combined experimental and molecular dynamics study

artículo científico publicado en 2012

Molecular dynamics studies of aqueous silica nanoparticle dispersions: salt effects on the double layer formation.

artículo científico publicado en 2015

Molecular dynamics studies of fluid/oil interfaces for improved oil recovery processes

artículo científico publicado en 2012

Multilevel Molecular Modeling Approach for a Rational Design of Ionic Current Sensors for Nanofluidics

artículo científico publicado en 2018

Multiple pathways in pressure-induced phase transition of coesite

artículo científico publicado en 2017

NMR characterization of hydrocarbon adsorption on calcite surfaces: a first principles study

scientific article published on 01 November 2014

Retention of contaminants Cd and Hg adsorbed and intercalated in aluminosilicate clays: A first principles study.

artículo científico publicado en 2017

Self-accumulation of aromatics at the oil-water interface through weak hydrogen bonding.

artículo científico publicado en 2010

Stacking-fault based microscopic model for platelets in diamond

artículo científico publicado en 2004

Structural properties and phase transitions in a silica clathrate

artículo científico publicado en 2011

Transitions between disordered phases in supercooled liquid silicon