Computational chemistryComputational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form.
Solar cellA solar cell, or photovoltaic cell, is an electronic device that converts the energy of light directly into electricity by the photovoltaic effect, which is a physical phenomenon. It is a form of photoelectric cell, defined as a device whose electrical characteristics, such as current, voltage, or resistance, vary when exposed to light. Individual solar cell devices are often the electrical building blocks of photovoltaic modules, known colloquially as solar panels.
Stress–energy tensorThe stress–energy tensor, sometimes called the stress–energy–momentum tensor or the energy–momentum tensor, is a tensor physical quantity that describes the density and flux of energy and momentum in spacetime, generalizing the stress tensor of Newtonian physics. It is an attribute of matter, radiation, and non-gravitational force fields. This density and flux of energy and momentum are the sources of the gravitational field in the Einstein field equations of general relativity, just as mass density is the source of such a field in Newtonian gravity.
Stress (mechanics)In continuum mechanics, stress is a physical quantity that describes forces present during deformation. An object being pulled apart, such as a stretched elastic band, is subject to tensile stress and may undergo elongation. An object being pushed together, such as a crumpled sponge, is subject to compressive stress and may undergo shortening. The greater the force and the smaller the cross-sectional area of the body on which it acts, the greater the stress. Stress has units of force per area, such as newtons per square meter (N/m2) or pascal (Pa).
Electron densityElectron density or electronic density is the measure of the probability of an electron being present at an infinitesimal element of space surrounding any given point. It is a scalar quantity depending upon three spatial variables and is typically denoted as either or . The density is determined, through definition, by the normalised -electron wavefunction which itself depends upon variables ( spatial and spin coordinates). Conversely, the density determines the wave function modulo up to a phase factor, providing the formal foundation of density functional theory.
AlanineAlanine (symbol Ala or A), or α-alanine, is an α-amino acid that is used in the biosynthesis of proteins. It contains an amine group and a carboxylic acid group, both attached to the central carbon atom which also carries a methyl group side chain. Consequently, its IUPAC systematic name is 2-aminopropanoic acid, and it is classified as a nonpolar, aliphatic α-amino acid. Under biological conditions, it exists in its zwitterionic form with its amine group protonated (as −NH3+) and its carboxyl group deprotonated (as −CO2−).
Theory of solar cellsThe theory of solar cells explains the process by which light energy in photons is converted into electric current when the photons strike a suitable semiconductor device. The theoretical studies are of practical use because they predict the fundamental limits of a solar cell, and give guidance on the phenomena that contribute to losses and solar cell efficiency. Photons in sunlight hit the solar panel and are absorbed by semi-conducting materials. Electrons (negatively charged) are knocked loose from their atoms as they are excited.
Molecular solidA molecular solid is a solid consisting of discrete molecules. The cohesive forces that bind the molecules together are van der Waals forces, dipole-dipole interactions, quadrupole interactions, π-π interactions, hydrogen bonding, halogen bonding, London dispersion forces, and in some molecular solids, coulombic interactions. Van der Waals, dipole interactions, quadrupole interactions, π-π interactions, hydrogen bonding, and halogen bonding (2-127 kJ mol−1) are typically much weaker than the forces holding together other solids: metallic (metallic bonding, 400-500 kJ mol−1), ionic (Coulomb’s forces, 700-900 kJ mol−1), and network solids (covalent bonds, 150-900 kJ mol−1).
Maxwell stress tensorThe Maxwell stress tensor (named after James Clerk Maxwell) is a symmetric second-order tensor used in classical electromagnetism to represent the interaction between electromagnetic forces and mechanical momentum. In simple situations, such as a point charge moving freely in a homogeneous magnetic field, it is easy to calculate the forces on the charge from the Lorentz force law. When the situation becomes more complicated, this ordinary procedure can become impractically difficult, with equations spanning multiple lines.
Stability theoryIn mathematics, stability theory addresses the stability of solutions of differential equations and of trajectories of dynamical systems under small perturbations of initial conditions. The heat equation, for example, is a stable partial differential equation because small perturbations of initial data lead to small variations in temperature at a later time as a result of the maximum principle. In partial differential equations one may measure the distances between functions using Lp norms or the sup norm, while in differential geometry one may measure the distance between spaces using the Gromov–Hausdorff distance.
