Docking (molecular)In the field of molecular modeling, docking is a method which predicts the preferred orientation of one molecule to a second when a ligand and a target are bound to each other to form a stable complex. Knowledge of the preferred orientation in turn may be used to predict the strength of association or binding affinity between two molecules using, for example, scoring functions. The associations between biologically relevant molecules such as proteins, peptides, nucleic acids, carbohydrates, and lipids play a central role in signal transduction.
Energy auditAn energy audit is an inspection survey and an analysis of energy flows for energy conservation in a building. It may include a process or system to reduce the amount of energy input into the system without negatively affecting the output. In commercial and industrial real estate, an energy audit is the first step in identifying opportunities to reduce energy expense and carbon footprint. When the object of study is an occupied building then reducing energy consumption while maintaining or improving human comfort, health and safety are of primary concern.
Efficient energy useEfficient energy use, sometimes simply called energy efficiency, is the process of reducing the amount of energy required to provide products and services. For example, insulating a building allows it to use less heating and cooling energy to achieve and maintain a thermal comfort. Installing light-emitting diode bulbs, fluorescent lighting, or natural skylight windows reduces the amount of energy required to attain the same level of illumination compared to using traditional incandescent light bulbs.
HarmonicA harmonic is a sinusoidal wave with a frequency that is a positive integer multiple of the fundamental frequency of a periodic signal. The fundamental frequency is also called the 1st harmonic, the other harmonics are known as higher harmonics. As all harmonics are periodic at the fundamental frequency, the sum of harmonics is also periodic at that frequency. The set of harmonics forms a harmonic series. The term is employed in various disciplines, including music, physics, acoustics, electronic power transmission, radio technology, and other fields.
Computer simulationComputer simulation is the process of mathematical modelling, performed on a computer, which is designed to predict the behaviour of, or the outcome of, a real-world or physical system. The reliability of some mathematical models can be determined by comparing their results to the real-world outcomes they aim to predict. Computer simulations have become a useful tool for the mathematical modeling of many natural systems in physics (computational physics), astrophysics, climatology, chemistry, biology and manufacturing, as well as human systems in economics, psychology, social science, health care and engineering.
Gradient descentIn mathematics, gradient descent (also often called steepest descent) is a iterative optimization algorithm for finding a local minimum of a differentiable function. The idea is to take repeated steps in the opposite direction of the gradient (or approximate gradient) of the function at the current point, because this is the direction of steepest descent. Conversely, stepping in the direction of the gradient will lead to a local maximum of that function; the procedure is then known as gradient ascent.
House Energy RatingThe House Energy Rating (HER) or House Energy Rating Scheme (HERS) are worldwide standard measures of comparison by which one can evaluate the energy efficiency of a new or an existing building. The comparison is generally done for energy requirements for heating and cooling of indoor space. The energy is the main criterion considered by any international building energy rating scheme but there are some other important factors such as production of greenhouse gases emission, indoor environment quality, cost efficiency and thermal comfort, which are considered by some schemes.
Dual graphIn the mathematical discipline of graph theory, the dual graph of a planar graph G is a graph that has a vertex for each face of G. The dual graph has an edge for each pair of faces in G that are separated from each other by an edge, and a self-loop when the same face appears on both sides of an edge. Thus, each edge e of G has a corresponding dual edge, whose endpoints are the dual vertices corresponding to the faces on either side of e.
Embodied energyEmbodied energy is the sum of all the energy required to produce any goods or services, considered as if that energy was incorporated or 'embodied' in the product itself. The concept can be useful in determining the effectiveness of energy-producing or energy saving devices, or the "real" replacement cost of a building, and, because energy-inputs usually entail greenhouse gas emissions, in deciding whether a product contributes to or mitigates global warming.
Stochastic gradient descentStochastic gradient descent (often abbreviated SGD) is an iterative method for optimizing an objective function with suitable smoothness properties (e.g. differentiable or subdifferentiable). It can be regarded as a stochastic approximation of gradient descent optimization, since it replaces the actual gradient (calculated from the entire data set) by an estimate thereof (calculated from a randomly selected subset of the data).
