What is molecular dynamics?
Molecular dynamics is the study of the way atoms and molecules move. Direct observation of these particles is not always possible, so scientists study molecular dynamics using mathematical formulas. These formulas are programmed into computers that allow scientists to simulate the movement of different atoms and molecules. Although actual particles are not used in studying molecular dynamics. The results of the simulations are considered to be reasonably accurate.
Molecular dynamics study is a type of virtual experiment. By studying the behavior of virtual molecules, scientists can predict how real molecules can behave. Although no real molecules are used, the results of these simulated experiments are considered accurate. Setting certain parameters in equations is more accurate experiments.
Simulation of molecular dynamics is used to create virtual observations of particle movement. In the laboratory it is not always possible or practical for the actual observation of molecular movement so thatInstead, it uses mathematical simulation and computer modeling. The advantage of these types of experiments is that movement can be observed for a longer period of time that it can be observed from up and that conditions such as pressure extremes or temperatures that are not practical in the laboratory can be simulated.
Computers are able to display the visual representation of the movement of atoms and molecules by the solution of mathematical equations. The equations are based on Newton's laws and can accurately predict the movement of most atoms and molecules. Simulation programs use equations to represent forces that act on particles and atoms movement in three -dimensional space. It is also possible to monitor the movement of an atom or molecule over time using these formulas.
Molecular dynamic can also be used to observe relationships between atoms and molecules. Simulation programs follow molecular links that are created and broken and adjust the equations accordingly. Although the equations used are based on Newton's laws of movement, in most cases they can be applied to the movement of very small particles. The laws that are governed by the movement of quantum particles must occasionally be used in molecular dynamics equations to correctly describe the movement of particles.