IronBits
03-04-2006, 10:06 AM
We live...
... in a world full of molecules: Molecules constitute our bodies and reactions between molecules are the essential phenomena behind all life processes. We breath, eat and wear molecules every day.
With this in mind...
... one can imagine the great importance that knowledge about molecular structure inheres, and also the usefulness of the ability to make accurate predictions about molecular reactivity.
Quantum Theory
- in principle allows us to predict the structure and reactivity of all molecules, but the equations of Quantum Theory become intractable complex with increasing system size. Exact analytical solutions are only possible for the smallest systems and for almost all molecules of interest in chemistry and life sciences no such solutions are known to us.
Quantum Chemistry
- is the science that invents smart approximations to Quantum Theory to predict molecular information with high accuracy. Nevertheless the solving of even approximated quantum chemical equations for real life systems require huge amounts of computing power.
Quantum Monte Carlo (QMC)
- is a very promising method new to Quantum Chemistry. One of the major advantages of QMC is the ability to perform massively parallel calculations, which can be utilized to broaden the horizon of calculable systems by distributing the work over hundreds or even thousands of processors.
Quantum Monte Carlo At Home (QMC@HOME)
- is a project designed to further develop the Quantum Monte Carlo method for general use in Quantum Chemistry. With the help of volunteers all over the world we want to raise the computing power that is needed to test and further develop the opportunities of the promising new approach of Quantum Monte Carlo.
... in a world full of molecules: Molecules constitute our bodies and reactions between molecules are the essential phenomena behind all life processes. We breath, eat and wear molecules every day.
With this in mind...
... one can imagine the great importance that knowledge about molecular structure inheres, and also the usefulness of the ability to make accurate predictions about molecular reactivity.
Quantum Theory
- in principle allows us to predict the structure and reactivity of all molecules, but the equations of Quantum Theory become intractable complex with increasing system size. Exact analytical solutions are only possible for the smallest systems and for almost all molecules of interest in chemistry and life sciences no such solutions are known to us.
Quantum Chemistry
- is the science that invents smart approximations to Quantum Theory to predict molecular information with high accuracy. Nevertheless the solving of even approximated quantum chemical equations for real life systems require huge amounts of computing power.
Quantum Monte Carlo (QMC)
- is a very promising method new to Quantum Chemistry. One of the major advantages of QMC is the ability to perform massively parallel calculations, which can be utilized to broaden the horizon of calculable systems by distributing the work over hundreds or even thousands of processors.
Quantum Monte Carlo At Home (QMC@HOME)
- is a project designed to further develop the Quantum Monte Carlo method for general use in Quantum Chemistry. With the help of volunteers all over the world we want to raise the computing power that is needed to test and further develop the opportunities of the promising new approach of Quantum Monte Carlo.