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Salah Eddine Boulfelfel

Georgia Institute of Technology

H指数:20

被引数:1,374

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Many-Particle Na-Ion Dynamics in NaMPO4 Olivine Phosphates (M = Mn, Fe)

COMPUTATIONAL DESIGN OF BATTERY MATERIALS

IF0

2024-07-050

PRE

Machine Learning and IAST-Aided High-Throughput Screening of Cationic and Silica Zeolites for Alkane Capture, Storage, and Separations

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2024-03-291

OA

Probing Structural Defects in MOFs Using Water Stability

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2024-02-237

OAAI

Computational Screening of Cationic Zeolites for n-Butane/Methane Separations Using Quantitatively Accurate First-Principles-Derived Force Fields

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2023-11-294

OA

Identifying High-Performance Metal-Organic Frameworks for Low- Temperature Oxygen Recovery from Helium by Computational Screening

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

IF3.9

2023-01-182

OA

Many-Particle Li Ion Dynamics in LiMPO4 Olivine Phosphates (M = Mn, Fe)

LiMPO4橄榄石磷酸盐 (M = Mn，Fe) 中的多粒子Li离子动力学

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2022-07-2210

OAAI

Incorporating Flexibility Effects into Metal-Organic Framework Adsorption Simulations Using Different Models

使用不同的模型将柔性效应纳入金属有机骨架吸附模拟

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2021-12-2025

OA

A Transferable Force Field for Predicting Adsorption and Diffusion of Small Molecules in Alkali Metal Exchanged Zeolites with Coupled Cluster Accuracy

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2021-11-2310

PRE

A Transferable Force Field for Predicting Adsorption and Diffusion of Hydrocarbons and Small Molecules in Silica Zeolites with Coupled-Cluster Accuracy

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2021-04-1216

PREAI

Quantifying Impact of Intrinsic Flexibility on Molecular Adsorption in Zeolites

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2021-03-0212

PREAI

Molecular Dynamics Investigation of Surface Resistances in Zeolite Nanosheets

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2020-06-1719

PREAI

Significant Temperature Dependence of the Isosteric Heats of Adsorption of Gases in Zeolites Demonstrated by Experiments and Molecular Simulations

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2019-07-2639

PREAI

Screening Diffusion of Small Molecules in Flexible Zeolitic Imidazolate Frameworks Using a DFT-Parameterized Force Field

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2019-03-0638

OAAI

First-Principles-Derived Force Fields for CH4 Adsorption and Diffusion in Siliceous Zeolites

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2018-05-2429

PREAI

Quantitative Predictions of Molecular Diffusion in Binary Mixed-Linker Zeolitic Imidazolate Frameworks Using Molecular Simulations

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2018-02-2015

PREAI

Metashooting: a novel tool for free energy reconstruction from polymorphic phase transition mechanisms

FARADAY DISCUSSIONS

IF3.1

2018-01-013

OAAI

Mechanism of the fcc-to-hcp phase transformation in solid Ar

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2017-06-0620

OAAI

Improved Hill-Sauer Force Field for Accurate Description of Pores in 8-Ring Zeolites

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2016-06-2422

PREAI

Hierarchical thermoelectrics: crystal grain boundaries as scalable phonon scatterers

IF5.1

2016-01-0114

OA

Modeling Diffusion of Linear Hydrocarbons in Silica Zeolite LTA Using Transition Path Sampling

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2015-06-2327

PREAI