High-throughput computational screening of nanoporous materials in targeted applications

High-throughput computational screening of nanoporous adsorbents for CO2 capture from natural gas

Computational Chemistry Methods for Nanoporous Materials

We present here the computational chemistry methods our group uses to investigate the physical and chemical properties of nanoporous materials and adsorbed fluids. We highlight the multiple time and length scales at which these properties can be examined and discuss the computational tools relevant to each scale. Furthermore, we include the key points to considerupsides, downsides, and possibl...

Computational Approaches for the High-Throughput Analysis of Porous Materials for Energy-related Applications

Crystalline porous materials are an important class of materials that can be used for oil refinement, hydrogen or methane storage, as well as carbon dioxide capture. Selecting optimal materials for these important applications requires analysis and screening of millions of potential candidates. Recently, we proposed an automatic approach based on the fast marching method for analyzing void spac...

Workflow for High Throughput Screening of Gas Sensing Materials

The workflow of a high throughput screening setup for the rapid identification of new and improved sensor materials is presented. The polyol method was applied to prepare nanoparticular metal oxides as base materials, which were functionalised by surface doping. Using multi-electrode substrates and high throughput impedance spectroscopy (HT-IS) a wide range of materials could be screened in a s...

focus on communication in iranian high school language classes: a study of the role of teaching materials in changing the focus onto communication in language classes

چکیده ارتباط در کلاس به عوامل زیادی از جمله معلمان، دانش آموزان، برنامه های درسی و از همه مهم تر، مواد آموزشی وابسته است. در تدریس ارتباطی زبان که تاکید زیادی بر توانش ارتباطی دارد، کتاب درسی به عنوان عامل موثر بر پویایی کلاس محسوب میگردد که درس ها را از طریق فراهم آوردن متن ارتباط کلاسی و هم چنین نوع تمرین زبانی که دانش آموزان در طول فعالیت های کلاسی به آن مشغول اند، کنترل می کند. این حقیقت ک...