Salah Eddine Boulfelfel
Title
Cited by
Cited by
Year
Unexpected stable stoichiometries of sodium chlorides
W Zhang, AR Oganov, AF Goncharov, Q Zhu, SE Boulfelfel, AO Lyakhov, ...
Science 342 (6165), 1502-1505, 2013
3032013
Understanding the nature of “superhard graphite”
SE Boulfelfel, AR Oganov, S Leoni
Scientific reports 2 (1), 1-9, 2012
892012
Squeezing lone pairs: The A 17 to A 7 pressure-induced phase transition in black phosphorus
SE Boulfelfel, G Seifert, Y Grin, S Leoni
Physical Review B 85 (1), 014110, 2012
712012
Walking the Path from B 4-to B 1-Type Structures in GaN
SE Boulfelfel, D Zahn, Y Grin, S Leoni
Physical review letters 99 (12), 125505, 2007
442007
Competing intermediates in the pressure-induced wurtzite to rocksalt phase transition in ZnO
SE Boulfelfel, S Leoni
Physical Review B 78 (12), 125204, 2008
392008
Atomistic investigation of Li+ diffusion pathways in the olivine LiFePO 4 cathode material
SE Boulfelfel, G Seifert, S Leoni
Journal of Materials Chemistry 21 (41), 16365-16372, 2011
382011
Structural Preference versus Metal within the MB2C2 (M=Mg, Sc, Ca, Y, Ln) Phases: The Coloring Problem Revisited by DFT Calculations
X Rocquefelte, SE Boulfelfel, M Ben Yahia, J Bauer, JY Saillard, JF Halet
Angewandte Chemie International Edition 44 (46), 7542-7545, 2005
372005
Low-dimensional sublattice melting by pressure: Superionic conduction in the phase interfaces of the fluorite-to-cotunnite transition of Ca F 2
SE Boulfelfel, D Zahn, O Hochrein, Y Grin, S Leoni
Physical Review B 74 (9), 094106, 2006
352006
Modeling diffusion of linear hydrocarbons in silica zeolite LTA using transition path sampling
SE Boulfelfel, PI Ravikovitch, DS Sholl
The Journal of Physical Chemistry C 119 (27), 15643-15653, 2015
182015
Novel sp3 forms of carbon predicted by evolutionary metadynamics and analysis of their synthesizability using transition path sampling
SE Boulfelfel, Q Zhu, AR Oganov
Journal of Superhard Materials 34 (6), 350-359, 2012
152012
Polarized Cluster Dynamics at the Paraelectric to Ferroelectric Phase Transition in BaTiO3
M Pasciak, SE Boulfelfel, S Leoni
The Journal of Physical Chemistry B 114 (49), 16465-16470, 2010
152010
Hierarchical thermoelectrics: crystal grain boundaries as scalable phonon scatterers
D Selli, SE Boulfelfel, P Schapotschnikow, D Donadio, S Leoni
Nanoscale 8 (6), 3729-3738, 2016
112016
First-Principles-Derived Force Fields for CH4 Adsorption and Diffusion in Siliceous Zeolites
H Fang, R Awati, SE Boulfelfel, PI Ravikovitch, DS Sholl
The Journal of Physical Chemistry C 122 (24), 12880-12891, 2018
92018
Mechanism of the fcc-to-hcp phase transformation in solid Ar
B Li, G Qian, AR Oganov, SE Boulfelfel, R Faller
The Journal of chemical physics 146 (21), 214502, 2017
92017
Improved Hill–Sauer force field for accurate description of pores in 8-ring zeolites
SE Boulfelfel, PI Ravikovitch, L Koziol, DS Sholl
The Journal of Physical Chemistry C 120 (26), 14140-14148, 2016
92016
Modern Methods of Crystal Structure Prediction, edited by AR Oganov
S Leoni, SE Boulfelfel
Weinheim: Wiley VCH, 2011
82011
Quantitative Predictions of Molecular Diffusion in Binary Mixed-Linker Zeolitic Imidazolate Frameworks Using Molecular Simulations
RJ Verploegh, Y Wu, SE Boulfelfel, DS Sholl
The Journal of Physical Chemistry C 122 (10), 5627-5638, 2018
72018
Binding affinities and protein ligand complex geometries of some quinolylaryl α, β-unsaturated ketones
I Hamlaoui, SE Boulfelfel, A Krid, M Bencharif
Journal of Health Science 57 (5), 397-400, 2011
42011
Significant temperature dependence of the isosteric heats of adsorption of gases in zeolites demonstrated by experiments and molecular simulations
AS Hyla, H Fang, SE Boulfelfel, G Muraro, C Paur, K Strohmaier, ...
The Journal of Physical Chemistry C 123 (33), 20405-20412, 2019
32019
Screening Diffusion of Small Molecules in Flexible Zeolitic Imidazolate Frameworks Using a DFT-Parameterized Force Field
RJ Verploegh, A Kulkarni, SE Boulfelfel, JC Haydak, D Tang, DS Sholl
The Journal of Physical Chemistry C 123 (14), 9153-9167, 2019
32019
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Articles 1–20