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.
SimulationA simulation is the imitation of the operation of a real-world process or system over time. Simulations require the use of models; the model represents the key characteristics or behaviors of the selected system or process, whereas the simulation represents the evolution of the model over time. Often, computers are used to execute the simulation. Simulation is used in many contexts, such as simulation of technology for performance tuning or optimizing, safety engineering, testing, training, education, and video games.
Standing waveIn physics, a standing wave, also known as a stationary wave, is a wave that oscillates in time but whose peak amplitude profile does not move in space. The peak amplitude of the wave oscillations at any point in space is constant with respect to time, and the oscillations at different points throughout the wave are in phase. The locations at which the absolute value of the amplitude is minimum are called nodes, and the locations where the absolute value of the amplitude is maximum are called antinodes.
Matter waveMatter waves are a central part of the theory of quantum mechanics, being half of wave–particle duality. All matter exhibits wave-like behavior. For example, a beam of electrons can be diffracted just like a beam of light or a water wave. The concept that matter behaves like a wave was proposed by French physicist Louis de Broglie (dəˈbrɔɪ) in 1924, and so matter waves are also known as de Broglie waves.
Time crystalIn condensed matter physics, a time crystal is a quantum system of particles whose lowest-energy state is one in which the particles are in repetitive motion. The system cannot lose energy to the environment and come to rest because it is already in its quantum ground state. Because of this, the motion of the particles does not really represent kinetic energy like other motion; it has "motion without energy".
Neural codingNeural coding (or neural representation) is a neuroscience field concerned with characterising the hypothetical relationship between the stimulus and the individual or ensemble neuronal responses and the relationship among the electrical activity of the neurons in the ensemble. Based on the theory that sensory and other information is represented in the brain by networks of neurons, it is thought that neurons can encode both digital and analog information.
Particle in a boxIn quantum mechanics, the particle in a box model (also known as the infinite potential well or the infinite square well) describes a particle free to move in a small space surrounded by impenetrable barriers. The model is mainly used as a hypothetical example to illustrate the differences between classical and quantum systems. In classical systems, for example, a particle trapped inside a large box can move at any speed within the box and it is no more likely to be found at one position than another.
Zero-point energyZero-point energy (ZPE) is the lowest possible energy that a quantum mechanical system may have. Unlike in classical mechanics, quantum systems constantly fluctuate in their lowest energy state as described by the Heisenberg uncertainty principle. Therefore, even at absolute zero, atoms and molecules retain some vibrational motion. Apart from atoms and molecules, the empty space of the vacuum also has these properties. According to quantum field theory, the universe can be thought of not as isolated particles but continuous fluctuating fields: matter fields, whose quanta are fermions (i.
Computational scienceComputational science, also known as scientific computing, technical computing or scientific computation (SC), is a division of science that uses advanced computing capabilities to understand and solve complex physical problems. This includes Algorithms (numerical and non-numerical): mathematical models, computational models, and computer simulations developed to solve sciences (e.
Photoelectrochemical cellA "photoelectrochemical cell" is one of two distinct classes of device. The first produces electrical energy similarly to a dye-sensitized photovoltaic cell, which meets the standard definition of a photovoltaic cell. The second is a photoelectrolytic cell, that is, a device which uses light incident on a photosensitizer, semiconductor, or aqueous metal immersed in an electrolytic solution to directly cause a chemical reaction, for example to produce hydrogen via the electrolysis of water.
