Computational methods for 2D materials modelling

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...

islanding detection methods for microgrids

امروزه استفاده از منابع انرژی پراکنده کاربرد وسیعی یافته است . اگر چه این منابع بسیاری از مشکلات شبکه را حل می کنند اما زیاد شدن آنها مسائل فراوانی برای سیستم قدرت به همراه دارد . استفاده از میکروشبکه راه حلی است که علاوه بر استفاده از مزایای منابع انرژی پراکنده برخی از مشکلات ایجاد شده توسط آنها را نیز منتفی می کند . همچنین میکروشبکه ها کیفیت برق و قابلیت اطمینان تامین انرژی مشترکان را افزایش ...

Discovering materials with first-principles computational methods

Predicting the arrangement of atoms in materials is of fundamental importance for the discovery and design of new materials. The discovery and development of stronger, cheaper, lighter, etc., functional materials can help to extend the steady progress of technology to which we have become accustomed, and to enable future technologies. It is increasingly being recognised that computational model...

Computational Methods for Creation Materials with Required Composition and Structure

Computational Modelling in Cancer: Methods and Applications

Computational modelling of diseases is an emerging field, proven valuable for the diagnosis, prognosis and treatment of the disease. Cancer is one of the diseases where computational modelling provides enormous advancements, allowing the medical professionals to perform in silico experiments and gain insights prior to any in vivo procedure. In this paper, we review the most recent computational...