Nonlinear filterIn signal processing, a nonlinear (or non-linear) filter is a filter whose output is not a linear function of its input. That is, if the filter outputs signals R and S for two input signals r and s separately, but does not always output αR + βS when the input is a linear combination αr + βs. Both continuous-domain and discrete-domain filters may be nonlinear. A simple example of the former would be an electrical device whose output voltage R(t) at any moment is the square of the input voltage r(t); or which is the input clipped to a fixed range [a,b], namely R(t) = max(a, min(b, r(t))).
Molecular dynamicsMolecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields.
Molecular modellingMolecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. The methods are used in the fields of computational chemistry, drug design, computational biology and materials science to study molecular systems ranging from small chemical systems to large biological molecules and material assemblies. The simplest calculations can be performed by hand, but inevitably computers are required to perform molecular modelling of any reasonably sized system.
Reconstruction filterIn a mixed-signal system (analog and digital), a reconstruction filter, sometimes called an anti-imaging filter, is used to construct a smooth analog signal from a digital input, as in the case of a digital to analog converter (DAC) or other sampled data output device. The sampling theorem describes why the input of an ADC requires a low-pass analog electronic filter, called the anti-aliasing filter: the sampled input signal must be bandlimited to prevent aliasing (here meaning waves of higher frequency being recorded as a lower frequency).
Causal filterIn signal processing, a causal filter is a linear and time-invariant causal system. The word causal indicates that the filter output depends only on past and present inputs. A filter whose output also depends on future inputs is non-causal, whereas a filter whose output depends only on future inputs is anti-causal. Systems (including filters) that are realizable (i.e. that operate in real time) must be causal because such systems cannot act on a future input.
Molecular design softwareMolecular design software is notable software for molecular modeling, that provides special support for developing molecular models de novo. In contrast to the usual molecular modeling programs, such as for molecular dynamics and quantum chemistry, such software directly supports the aspects related to constructing molecular models, including: Molecular graphics interactive molecular drawing and conformational editing building polymeric molecules, crystals, and solvated systems partial charges development g
TemperatureTemperature is a physical quantity that expresses quantitatively the perceptions of hotness and coldness. Temperature is measured with a thermometer. Thermometers are calibrated in various temperature scales that historically have relied on various reference points and thermometric substances for definition. The most common scales are the Celsius scale with the unit symbol °C (formerly called centigrade), the Fahrenheit scale (°F), and the Kelvin scale (K), the latter being used predominantly for scientific purposes.
Anti-aliasing filterAn anti-aliasing filter (AAF) is a filter used before a signal sampler to restrict the bandwidth of a signal to satisfy the Nyquist–Shannon sampling theorem over the band of interest. Since the theorem states that unambiguous reconstruction of the signal from its samples is possible when the power of frequencies above the Nyquist frequency is zero, a brick wall filter is an idealized but impractical AAF. A practical AAF makes a trade off between reduced bandwidth and increased aliasing.
Numerical weather predictionNumerical weather prediction (NWP) uses mathematical models of the atmosphere and oceans to predict the weather based on current weather conditions. Though first attempted in the 1920s, it was not until the advent of computer simulation in the 1950s that numerical weather predictions produced realistic results. A number of global and regional forecast models are run in different countries worldwide, using current weather observations relayed from radiosondes, weather satellites and other observing systems as inputs.
Finite ringIn mathematics, more specifically abstract algebra, a finite ring is a ring that has a finite number of elements. Every finite field is an example of a finite ring, and the additive part of every finite ring is an example of an abelian finite group, but the concept of finite rings in their own right has a more recent history. Although rings have more structure than groups, the theory of finite rings is simpler than that of finite groups.
