Optimized molecular reconstruction procedure combining hybrid reverse Monte Carlo and molecular dynamics

Slow diffusion of methane in ultra-micropores of silicon carbide-derived carbon

(2014) Ali Shahtalebi et al.   CARBON

Influence of Structural Heterogeneity on Diffusion of CH4 and CO2 in Silicon Carbide-Derived Nanoporous Carbon

(2014) Amir H. Farmahini et al.   Journal of Physical Chemistry C

Adsorption, intrusion and freezing in porous silica: the view from the nanoscale

(2013) Benoit Coasne et al.   CHEMICAL SOCIETY REVIEWS

Adsorption of Carbon Dioxide, Methane, and Their Mixtures in Porous Carbons: Effect of Surface Chemistry, Water Content, and Pore Disorder

(2013) Pierre Billemont et al.   LANGMUIR

Computing vibrational spectra from ab initio molecular dynamics

(2013) Martin Thomas et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

RMC_POT: A computer code for reverse monte carlo modeling the structure of disordered systems containing molecules of arbitrary complexity

(2012) Orsolya Gereben et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Atomistic models for disordered nanoporous carbons using reactive force fields

(2011) Jeremy C. Palmer et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Modeling Amorphous Porous Materials and Confined Fluids

(2011) Lev D. Gelb   MRS BULLETIN

Raman spectroscopy in graphene

(2009) L.M. Malard et al.   PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS