Force field (chemistry)In the context of chemistry and molecular modelling, a force field is a computational method that is used to estimate the forces between atoms within molecules and also between molecules. More precisely, the force field refers to the functional form and parameter sets used to calculate the potential energy of a system of atoms or coarse-grained particles in molecular mechanics, molecular dynamics, or Monte Carlo simulations. The parameters for a chosen energy function may be derived from experiments in physics and chemistry, calculations in quantum mechanics, or both.
Interatomic potentialInteratomic potentials are mathematical functions to calculate the potential energy of a system of atoms with given positions in space. Interatomic potentials are widely used as the physical basis of molecular mechanics and molecular dynamics simulations in computational chemistry, computational physics and computational materials science to explain and predict materials properties.
Molecular mechanicsMolecular mechanics uses classical mechanics to model molecular systems. The Born–Oppenheimer approximation is assumed valid and the potential energy of all systems is calculated as a function of the nuclear coordinates using force fields. Molecular mechanics can be used to study molecule systems ranging in size and complexity from small to large biological systems or material assemblies with many thousands to millions of atoms.
Two-body problemIn classical mechanics, the two-body problem is to predict the motion of two massive objects which are abstractly viewed as point particles. The problem assumes that the two objects interact only with one another; the only force affecting each object arises from the other one, and all other objects are ignored. The most prominent case of the classical two-body problem is the gravitational case (see also Kepler problem), arising in astronomy for predicting the orbits (or escapes from orbit) of objects such as satellites, planets, and stars.
Numerical cognitionNumerical cognition is a subdiscipline of cognitive science that studies the cognitive, developmental and neural bases of numbers and mathematics. As with many cognitive science endeavors, this is a highly interdisciplinary topic, and includes researchers in cognitive psychology, developmental psychology, neuroscience and cognitive linguistics. This discipline, although it may interact with questions in the philosophy of mathematics, is primarily concerned with empirical questions.
Potential energyIn physics, potential energy is the energy held by an object because of its position relative to other objects, stresses within itself, its electric charge, or other factors. The term potential energy was introduced by the 19th-century Scottish engineer and physicist William Rankine, although it has links to the ancient Greek philosopher Aristotle's concept of potentiality. Common types of potential energy include the gravitational potential energy of an object, the elastic potential energy of an extended spring, and the electric potential energy of an electric charge in an electric field.
Theory of everythingA theory of everything (TOE), final theory, ultimate theory, unified field theory or master theory is a hypothetical, singular, all-encompassing, coherent theoretical framework of physics that fully explains and links together all aspects of the universe. Finding a theory of everything is one of the major unsolved problems in physics. String theory and M-theory have been proposed as theories of everything. Over the past few centuries, two theoretical frameworks have been developed that, together, most closely resemble a theory of everything.
Atomic theoryAtomic theory is the scientific theory that matter is composed of particles called atoms. The concept that matter is composed of discrete particles is an ancient idea, but gained scientific credence in the 18th and 19th centuries when scientists found it could explain the behaviors of gases and how chemical elements reacted with each other. By the end of the 19th century, atomic theory had gained widespread acceptance in the scientific community. The term "atom" comes from the Greek word atomos, which means "uncuttable".
Fine-structure constantIn physics, the fine-structure constant, also known as the Sommerfeld constant, commonly denoted by α (the Greek letter alpha), is a fundamental physical constant which quantifies the strength of the electromagnetic interaction between elementary charged particles. It is a dimensionless quantity, independent of the system of units used, which is related to the strength of the coupling of an elementary charge e with the electromagnetic field, by the formula 4πε_0ħcα = e^2. Its numerical value is approximately 0.
Fundamental attribution errorIn social psychology, fundamental attribution error, also known as correspondence bias or attribution effect, is a cognitive attribution bias where observers underemphasize situational and environmental factors for the behavior of an actor while overemphasizing dispositional or personality factors. In other words, observers tend to overattribute the behaviors of others to their personality (e.g., he is late because he's selfish) and underattribute them to the situation or context (e.g.
Two-body problem in general relativityThe two-body problem in general relativity is the determination of the motion and gravitational field of two bodies as described by the field equations of general relativity. Solving the Kepler problem is essential to calculate the bending of light by gravity and the motion of a planet orbiting its sun. Solutions are also used to describe the motion of binary stars around each other, and estimate their gradual loss of energy through gravitational radiation.
NumeracyNumeracy is the ability to understand, reason with, and to apply simple numerical concepts. The charity National Numeracy states: "Numeracy means understanding how mathematics is used in the real world and being able to apply it to make the best possible decisions...It’s as much about thinking and reasoning as about 'doing sums'". Basic numeracy skills consist of comprehending fundamental arithmetical operations like addition, subtraction, multiplication, and division.
Uncertainty principleIn quantum mechanics, the uncertainty principle (also known as Heisenberg's uncertainty principle) is any of a variety of mathematical inequalities asserting a fundamental limit to the product of the accuracy of certain related pairs of measurements on a quantum system, such as position, x, and momentum, p. Such paired-variables are known as complementary variables or canonically conjugate variables.
Gibbs free energyIn thermodynamics, the Gibbs free energy (or Gibbs energy as the recommended name; symbol ) is a thermodynamic potential that can be used to calculate the maximum amount of work, other than pressure-volume work, that may be performed by a thermodynamically closed system at constant temperature and pressure. It also provides a necessary condition for processes such as chemical reactions that may occur under these conditions. The Gibbs free energy is expressed as where p is pressure, T is the temperature, U is the internal energy, V is volume, H is the enthalpy, and S is the entropy.
Electrochemical potentialIn electrochemistry, the electrochemical potential (ECP), , is a thermodynamic measure of chemical potential that does not omit the energy contribution of electrostatics. Electrochemical potential is expressed in the unit of J/mol. Each chemical species (for example, "water molecules", "sodium ions", "electrons", etc.) has an electrochemical potential (a quantity with units of energy) at any given point in space, which represents how easy or difficult it is to add more of that species to that location.
Energy levelA quantum mechanical system or particle that is bound—that is, confined spatially—can only take on certain discrete values of energy, called energy levels. This contrasts with classical particles, which can have any amount of energy. The term is commonly used for the energy levels of the electrons in atoms, ions, or molecules, which are bound by the electric field of the nucleus, but can also refer to energy levels of nuclei or vibrational or rotational energy levels in molecules.
Dark energyIn physical cosmology and astronomy, dark energy is an unknown form of energy that affects the universe on the largest scales. The first observational evidence for its existence came from measurements of supernovas, which showed that the universe does not expand at a constant rate; rather, the universe's expansion is accelerating. Understanding the universe's evolution requires knowledge of its starting conditions and composition. Before these observations, scientists thought that all forms of matter and energy in the universe would only cause the expansion to slow down over time.
R-parityR-parity is a concept in particle physics. In the Minimal Supersymmetric Standard Model, baryon number and lepton number are no longer conserved by all of the renormalizable couplings in the theory. Since baryon number and lepton number conservation have been tested very precisely, these couplings need to be very small in order not to be in conflict with experimental data. R-parity is a symmetry acting on the Minimal Supersymmetric Standard Model (MSSM) fields that forbids these couplings and can be defined as or, equivalently, as where s is spin, B is baryon number, and L is lepton number.
Attribution (psychology)Attribution is a term used in psychology which deals with how individuals perceive the causes of everyday experience, as being either external or internal. Models to explain this process are called Attribution theory. Psychological research into attribution began with the work of Fritz Heider in the early 20th century, and the theory was further advanced by Harold Kelley and Bernard Weiner. Heider first introduced the concept of perceived 'locus of causality' to define the perception of one's environment.
Minimal Supersymmetric Standard ModelThe Minimal Supersymmetric Standard Model (MSSM) is an extension to the Standard Model that realizes supersymmetry. MSSM is the minimal supersymmetrical model as it considers only "the [minimum] number of new particle states and new interactions consistent with "Reality". Supersymmetry pairs bosons with fermions, so every Standard Model particle has a superpartner yet undiscovered. If discovered, such superparticles could be candidates for dark matter, and could provide evidence for grand unification or the viability of string theory.
