QMC@Home

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QMC@Home is a distributed computing project for the BOINC client aimed at further developing and testing Quantum Monte Carlo (QMC) for use in quantum chemistry. It is hosted by the University of Münster, Germany. QMC@Home allows volunteers from around the world to donate idle computer cycles to help calculate the energies and reactivity of molecules using Quantum Monte Carlo.

The project began its Betatesting on 23 May 2006.

[edit] Workunits

In order to get results from home computers the work is split into "workunits". The time it takes to complete a workunit depends on the size of the calculated system and the speed of the user's computer. The target time is between 4 and 48 hours on a 2400 MHz system.

Current workunits: JSCH2005-S22 benchmark set

These molecules are part of a benchmark set for quantum chemical methods. Calculations on this benchmark set should show the overall good performance of QMC for weakly bound systems. Good benchmark values would further support our very good results for DNA base pair interaction energies.

This is the complete list of the molecules currently tested: 1a Ammonia; 1 Ammonia dimer; 2a Water; 2 Water dimer; 3a Formic acid; 3 Formic acid dimer; 4a Formamide; 4 Formamide dimer; 5a Uracil; 5 Uracil dimer; 6a 2-pyridoxine; 6b 2-aminopyridine; 6 2-pyridoxine/2-aminopyridine; 7a Adenine; 7b Thymine; 7 Adenine/thymine WC; 8a Methane; 8 Methane dimer; 9a Ethene; 9 Ethene dimer; 10 Benzene/methane; 11a Benzene; 11 Benzene dimer; 12a Pyrazine; 12 Pyrazine dimer; 13 Uracil dimer; 14a Indole; 14 Indole/benzene; 15 Adenine/thymine stack; 16b Ethine; 16 Ethene/ethine; 17 Benzene/water; 18 Benzene/ammonia; 19b Hydrogen cyanide; 19 Benzene/hydrogen cyanide; 20 Benzene dimer; 21 Indole/benzene; 22a Phenole; 22 Phenole dimer