Impact of distributions on the archetypes and prototypes in heterogeneous nanoparticle ensembles

Geometrical features can predict electronic properties of graphene nanoflakes

(2016) Michael Fernandez et al.   CARBON

Modeling corrosion inhibition efficacy of small organic molecules as non-toxic chromate alternatives using comparative molecular surface analysis (CoMSA)

(2016) Michael Fernandez et al.   CHEMOSPHERE

Geometrical Properties Can Predict CO2 and N2 Adsorption Performance of Metal–Organic Frameworks (MOFs) at Low Pressure

(2016) Michael Fernandez et al.   ACS Combinatorial Science

Machine Learning Prediction of the Energy Gap of Graphene Nanoflakes Using Topological Autocorrelation Vectors

(2016) Michael Fernandez et al.   ACS Combinatorial Science

Statistics, damned statistics and nanoscience – using data science to meet the challenge of nanomaterial complexity

(2016) Baichuan Sun et al.   Nanoscale Horizons

Identification of Nanoparticle Prototypes and Archetypes

(2015) Michael Fernandez et al.   ACS Nano

Quantitative Structure–Property Relationship Modeling of Electronic Properties of Graphene Using Atomic Radial Distribution Function Scores

(2015) Michael Fernandez et al.   Journal of Chemical Information and Modeling

Optical Emission of Statistical Distributions of Silicon Quantum Dots

(2015) A. S. Barnard et al.   Journal of Physical Chemistry C

Impact of distributions and mixtures on the charge transfer properties of graphene nanoflakes

(2015) Hongqing Shi et al.   Nanoscale

Predictive Morphology Control of Hydrogen-Terminated Silicon Nanoparticles

(2014) Hugh F. Wilson et al.   Journal of Physical Chemistry C

Rapid and Accurate Machine Learning Recognition of High Performing Metal Organic Frameworks for CO2 Capture

(2014) Michael Fernandez et al.   Journal of Physical Chemistry Letters

Molecular ionization and deprotonation energies as indicators of functional coating performance

(2014) Michael Breedon et al.   Journal of Materials Chemistry A

Shape dependence of the band gaps in luminescent silicon quantum dots

(2014) Hugh F. Wilson et al.   Journal of Materials Chemistry C

Designing Multielectron Lithium-Ion Phosphate Cathodes by Mixing Transition Metals

(2013) Geoffroy Hautier et al.   CHEMISTRY OF MATERIALS

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

(2013) Anubhav Jain et al.   APL Materials

Carbonophosphates: A New Family of Cathode Materials for Li-Ion Batteries Identified Computationally

(2012) Hailong Chen et al.   CHEMISTRY OF MATERIALS

Structure–property relationships of porous materials for carbon dioxide separation and capture

(2012) Christopher E. Wilmer et al.   Energy & Environmental Science

Accelerated computational discovery of high-performance materials for organic photovoltaics by means of cheminformatics

(2011) Roberto Olivares-Amaya et al.   Energy & Environmental Science

Large-scale screening of hypothetical metal–organic frameworks

(2011) Christopher E. Wilmer et al.   Nature Chemistry

Molecular Design of Porphyrin-Based Nonlinear Optical Materials

(2008) Shahar Keinan et al.   JOURNAL OF PHYSICAL CHEMISTRY A