Quantemol Ltd is based in University College London initiated by Professor Jonathan Tennyson FRS and Dr. Daniel Brown in 2004. The company initially developed a unique software tool, Quantemol-N, which provides full accessibility to the highly sophisticated UK molecular R-matrix codes, used to model electron polyatomic molecule interactions. Since then Quantemol has widened to further types of simulation, with plasmas and industrial plasma tools, in Quantemol-P and Quantemol-D.
Contents
Quantemol-N
The Quantemol-N software system has been developed to simplify use of UK R-matrix codes. It provides an expert interface for non specialists to perform ab initio electron-molecule scattering calculations. Quantemol-N calculates a variety of observables for electron molecule collisions including:
Applicable simulations
Quantemol-N is capable of tackling a variety of problems;
Accuracy
A study on the key benchmark molecule; water, gave results more accurate than obtainable experimentally (Faure et al. 2004).
Experimentally, there are problems measuring large cross sections at low angles; this applies to any molecule with a large dipole moment. Being a simulation, this is not a problem for Quantemol-N.
Relevant Publications
Quantemol-P
The etching of silicon wafers using gaseous plasmas underpins the rapid advance in computer technology that has powered the global economy, and will continue to do so for the foreseeable future. Currently, experimental testing is used to establish the relevant plasma mixes to generate the desired etch. Such testing is an expensive and time-consuming process even for relatively minor improvements in the processes. Simulation allows much of this process can be done outside of the reactor at reduced cost and improved efficiency. Quantemol-P provides users with a means to simulate these processes.
One of the key fundamental processes in etch plasmas is the collision of low-energy electrons with molecules. But for many years the associated molecular data has been missing from the plasma researchers' toolkit. Measurements of these collisions are both expensive and difficult to perform, and their theoretical determination requires the use of sophisticated procedures based on the application of quantum mechanics.
Program use
Quantemol-P assists in the research for new plasma recipes and optimizes given processes by simulating etch machines. The simulation inputs used match those of the plasma processing tools: e.g. power, pressure, gas flow rate, time, volume.
The program couples molecular data and plasma models to provide full information on the various plasma processes. This gives users more insight into the problem than usually obtainable.
A variety of technical plasmas can be simulated; including plasma etch reactors, plug-flow reactors and well-mixed reactors.
The plasma model in Quantemol-P is based on the zero-dimensional global-kinetics simulation code GLOBALKIN developed over a number of years by Kushner and co-workers.
Relevant Publications
Quantemol-VT
Quantemol-Virtual Tool is an expert software system for the simulation of industrial plasma processing tools. Q-VT builds upon the comprehensively validated Hybrid Plasma Equipment Model (HPEM) codes developed by renowned plasma physicist Professor Mark Kushner for simulating non-equilibrium low pressure (up to 1 Torr) plasma processes. Q-VT includes an intuitive user interface, data visualisation and analysis capabilities, and convenient job/batch management.
Applications include:
What Q-VT can model:
Benefits of Q-VT