Publication
Diversifying Databases of Metal Organic Frameworks for High-Throughput Computational Screening
Related concepts (18)
Organic synthesis
Organic synthesis is a special branch of chemical synthesis and is concerned with the intentional construction of organic compounds. Organic molecules are often more complex than inorganic compounds, and their synthesis has developed into one of the most important branches of organic chemistry. There are several main areas of research within the general area of organic synthesis: total synthesis, semisynthesis, and methodology.
Markov chain Monte Carlo
In statistics, Markov chain Monte Carlo (MCMC) methods comprise a class of algorithms for sampling from a probability distribution. By constructing a Markov chain that has the desired distribution as its equilibrium distribution, one can obtain a sample of the desired distribution by recording states from the chain. The more steps that are included, the more closely the distribution of the sample matches the actual desired distribution. Various algorithms exist for constructing chains, including the Metropolis–Hastings algorithm.
Die shrink
The term die shrink (sometimes optical shrink or process shrink) refers to the scaling of metal–oxide–semiconductor (MOS) devices. The act of shrinking a die creates a somewhat identical circuit using a more advanced fabrication process, usually involving an advance of lithographic nodes. This reduces overall costs for a chip company, as the absence of major architectural changes to the processor lowers research and development costs while at the same time allowing more processor dies to be manufactured on the same piece of silicon wafer, resulting in less cost per product sold.
Organic reaction
Organic reactions are chemical reactions involving organic compounds. The basic organic chemistry reaction types are addition reactions, elimination reactions, substitution reactions, pericyclic reactions, rearrangement reactions, photochemical reactions and redox reactions. In organic synthesis, organic reactions are used in the construction of new organic molecules. The production of many man-made chemicals such as drugs, plastics, food additives, fabrics depend on organic reactions.
Organic horticulture
Organic horticulture is the science and art of growing fruits, vegetables, flowers, or ornamental plants by following the essential principles of organic agriculture in soil building and conservation, pest management, and heirloom variety preservation. The Latin words hortus (garden plant) and cultura (culture) together form horticulture, classically defined as the culture or growing of garden plants. Horticulture is also sometimes defined simply as "agriculture minus the plough".
Statistical mechanics
In physics, statistical mechanics is a mathematical framework that applies statistical methods and probability theory to large assemblies of microscopic entities. It does not assume or postulate any natural laws, but explains the macroscopic behavior of nature from the behavior of such ensembles. Sometimes called statistical physics or statistical thermodynamics, its applications include many problems in the fields of physics, biology, chemistry, and neuroscience.
Computational biology
Computational biology refers to the use of data analysis, mathematical modeling and computational simulations to understand biological systems and relationships. An intersection of computer science, biology, and big data, the field also has foundations in applied mathematics, chemistry, and genetics. It differs from biological computing, a subfield of computer engineering which uses bioengineering to build computers. Bioinformatics, the analysis of informatics processes in biological systems, began in the early 1970s.
Coal pollution mitigation
Coal pollution mitigation, sometimes called clean coal, is a series of systems and technologies that seek to mitigate the health and environmental impact of coal; in particular air pollution from coal-fired power stations, and from coal burnt by heavy industry. The primary focus is on sulfur dioxide () and nitrogen oxides (), the most important gases which caused acid rain; and particulates which cause visible air pollution, illness and premature deaths. can be removed by flue-gas desulfurization and by selective catalytic reduction (SCR).