Data

Source code for USER-CONP2 add-on for LAMMPS

The University of Queensland
Dr Shern Tee (Aggregated by) Dr Shern Tee (Aggregated by) Professor Debra Bernhardt (Aggregated by) Professor Debra Bernhardt (Aggregated by)
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ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rfr_id=info%3Asid%2FANDS&rft_id=info:doi10.48610/6b1122a&rft.title=Source code for USER-CONP2 add-on for LAMMPS&rft.identifier=RDM ID: 0d5d7690-78dc-11ec-a36a-f56807cb43fd&rft.publisher=The University of Queensland&rft.description=Source code, installation instructions and sample scripts for the USER-CONP2 add-on. This add-on enables use of the constant potential method within the open source molecular dynamics package LAMMPS. Constant potential simulations use dynamically updating charges to model conductive electrodes for the purpose of molecular dynamics simulation in electrochemical and electrophysical systems.&rft.creator=Dr Shern Tee&rft.creator=Dr Shern Tee&rft.creator=Professor Debra Bernhardt&rft.creator=Professor Debra Bernhardt&rft.date=2022&rft_rights= https://guides.library.uq.edu.au/deposit-your-data/license-reuse-data-agreement&rft_subject=eng&rft_subject=Theory and design of materials&rft_subject=Macromolecular and materials chemistry&rft_subject=CHEMICAL SCIENCES&rft_subject=Computational chemistry&rft_subject=Theoretical and computational chemistry&rft_subject=Statistical mechanics in chemistry&rft.type=dataset&rft.language=English Access the data
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s.tee@uq.edu.au
Australian Institute for Bioengineering and Nanotechnology

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Source code, installation instructions and sample scripts for the USER-CONP2 add-on. This add-on enables use of the constant potential method within the open source molecular dynamics package LAMMPS. Constant potential simulations use dynamically updating charges to model conductive electrodes for the purpose of molecular dynamics simulation in electrochemical and electrophysical systems.

Issued: 2022

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Subjects
Chemical Sciences | Computational Chemistry | Macromolecular and Materials Chemistry | Statistical Mechanics in Chemistry | Theoretical and Computational Chemistry | Theory and Design of Materials | eng |

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local : UQ:289097

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