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"Richards, Graham"
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Appraising the Optimal Power Flow and Generation Capacity in Existing Power Grid Topology with Increase in Energy Demand
Several socioeconomic factors such as industrialization, population growth, evolution of modern technologies, urbanization and other social activities do heavily influence the increase in energy demand. A thorough understanding of the effects of energy demand to power grid is highly essential for effective planning and operation of a power system network in terms of the available generation and transmission line capacities. This paper presents an optimal power flow (OPF) with the aim to determine the exact nodes through which the network capacities can be increased. The problem is formulated as a Direct Current (DC) OPF model, which is a linearized version of an Alternating Current (AC) OPF model. The DC-OPF model was solved as a single period OPF problem. The model was tested in several case studies using the topology of the IEEE test systems, and the computation speeds of the different cases were compared. The results suggested dual variables of the problem’s constraints as an extra tool for the network designer to see where to increase the network capacities.
Journal Article
ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics
We present ElectroShape, a novel ligand-based virtual screening method, that combines shape and electrostatic information into a single, unified framework. Building on the ultra-fast shape recognition (USR) approach for fast non-superpositional shape-based virtual screening, it extends the method by representing partial charge information as a fourth dimension. It also incorporates the chiral shape recognition (CSR) method, which distinguishes enantiomers. It has been validated using release 2 of the Directory of useful decoys (DUD), and shows a near doubling in enrichment ratio at 1% over USR and CSR, and improvements as measured by Receiver Operating Characteristic curves. These improvements persisted even after taking into account the chemotype redundancy in the sets of active ligands in DUD. During the course of its development, ElectroShape revealed a difference in the charge allocation of the DUD ligand and decoy sets, leading to several new versions of DUD being generated as a result. ElectroShape provides a significant addition to the family of ultra-fast ligand-based virtual screening methods, and its higher-dimensional shape recognition approach has great potential for extension and generalisation.
Journal Article
أسرار الكيمياء
هذا الكتاب به يقدم و.جراهام رتيشاردز للقارئ غير المتخصص عرضا مثيرا وحقيقيا عن المشاكل الأساسية التي تواجهها الكيمياء حاليا ويبحث التطورات المستقبلية المحتملة وهو يشرح بأسلوب مبسط كيف تتحد الذرات لتكون الجزئيات ويستكشف المهمة الأساسية الملقاة على عاتق الكيميائيين ألا وهي تخليق جزئيات جديدة ومن بين المواد الجديدة التي تم تخليقها العقاقير واللدائن والمنظفات والأصباغ والكيماويات الزراعية ويبرز الكتاب أوجه التقدم الرائعة التي حدثت في المعرفة الكيميائية لعلم الوراثة وآليات الكائنات الحية إذ تعد مدخلا أساسيا للهندسة الوراثية ولابتكار عقاقير جديدة بأساليب حديثة.
Book
The Efficacy of Multi-Period Long-Term Power Transmission Network Expansion Model with Penetration of Renewable Sources
The electrical energy demand increase does evolve rapidly due to several socioeconomic factors such as industrialisation, population growth, urbanisation and, of course, the evolution of modern technologies in this 4th industrial revolution era. Such a rapid increase in energy demand introduces a huge challenge into the power system, which has paved way for network operators to seek alternative energy resources other than the conventional fossil fuel system. Hence, the penetration of renewable energy into the electricity supply mix has evolved rapidly in the past three decades. However, the grid system has to be well planned ahead to accommodate such an increase in energy demand in the long run. Transmission Network Expansion Planning (TNEP) is a well ordered and profitable expansion of power facilities that meets the expected electric energy demand with an allowable degree of reliability. This paper proposes a DC TNEP model that minimises the capital costs of additional transmission lines, network reinforcements, generator operation costs and the costs of renewable energy penetration, while satisfying the increase in demand. The problem is formulated as a mixed integer linear programming (MILP) problem. The developed model was tested in several IEEE test systems in multi-period scenarios. We also carried out a detailed derivation of the new non-negative variables in terms of the power flow magnitudes, the bus voltage phase angles and the lines’ phase angles for proper mixed integer variable decomposition techniques. Moreover, we intend to provide additional recommendations in terms of in which particular year (within a 20 year planning period) can the network operators install new line(s), new corridor(s) and/or additional generation capacity to the respective existing power networks. This is achieved by running incremental period simulations from the base year through the planning horizon. The results show the efficacy of the developed model in solving the TNEP problem with a reduced and acceptable computation time, even for large power grid system.
Journal Article
Virtual screening using grid computing: the screensaver project
Discovering small molecules that interact with protein targets identified by structural genomics, proteomics and bioinformatics will be a key part of future drug discovery efforts. Computational screening of drug-like molecules is likely to be valuable in this respect; however, the vast number of such molecules makes the potential size of this task enormous. Here, I describe how massively distributed computing using screensavers has allowed databases of billions of compounds to be screened against protein targets in a matter of days.
Journal Article
Secrets from a spin-out success story
Ahead of his 85th birthday, Graham Richards discussed his life in science and its intersection with industry. From a mix-up that led to him reading chemistry at the University of Oxford rather than physics, Richards later became the head of the chemistry department and co-founded Oxford Molecular Plc.
Journal Article
University Intellectual Property
The traditional role of the university has been to teach and conduct original research, but this situation is changing. As governments judge universities on new criteria - including the 'impact' they have - and as universities are driven to search for finance from new sources, those that run universities are increasingly looking to exploit the intellectual property created by their researchers to help deliver this impact and income. How this should be done, and whether it should be done at all, is subject to much debate.The key issues are:- What constitutes intellectual property?- Do academics or universities own IP?- Does the commercialisation of IP impact academic freedom?- How can IP best be exploited and who should be financially rewarded when it is?- What assistance can governments and other bodies provide?This book investigates these issues. After a review of how the current situation came to be, the views and experiences of a range of experts are presented, including those of a former high court judge, a senior lawyer, a patent attorney and professionals involved in technology transfer. The contributors examine whether the roles of higher education institutions have changed, what academics and universities should be doing, and how technology transfer can be made more effective and efficient. To conclude, a provocative look at the ethics of the situation is presented.This insightful and thought-provoking book will help readers to understand more about an increasingly important aspect of academia and business.
eBook
Harmonic generation of variable speed drive under complex-voltage unbalance conditions
Efficiency in the industrial sector is a priority when seeking to minimize production costs and reduction in losses. Harmonic generation and associated losses need to be treated carefully with broad implementation of variable speed induction motor applications. The effect of these induced losses can add up to a significant loss. This study uses statistical tools alongside synthesized models to deduce and compare outcomes from regulated and unregulated converters in which harmonics may be triggered by switching algorithm of modern switch-mode power supplies and other inductive loads attached to supply bus system. These harmonics accumulate over time due to losses propagating through connected equipment when changes occur on the bus system. In this regard, results obtained from investigating and comparing three original equipment manufacturer variable speed drives that were exposed to voltage unbalance and complex harmonic conditions are presented in this study. A conclusion accomplished from the investigation and comparison suggests that generation of 6-pulse uncontrolled rectifier losses is negligible. Experimental validation confirms that unregulated 6-pulse converter produces on average more harmonics compared to the regulated converter of standard as recommended in guideline to permissible harmonic tolerance.
Journal Article