Atomistic Simulation Centre (ASC)

    Organisation profile

    We develop theory and computational methods for atomic scale modelling and simulation of hard and soft condensed matter systems of experimental and practical interest. We possess a wide range of mutually complementary theoretical and computational expertise: large-scale classical molecular dynamics; statistical mechanics; empirical and first principles electronic structure methods; quantum Monte-Carlo; classical and quantum nuclear dynamics; many body theory; measurement and decoherence; quantum transport. Moreover, we maintain core competences in high performance and parallel computing.

    View graph of relations

    Contact information

    Physics Building
    School of Maths and Physics
    Queen's University Belfast
    University Road
    BT7 1NN
    United Kingdom
    • Phone: 028 9097 3770
    • Fax: 028 9097 3110



    View all »

    Most downloaded publications


    Research output: Contribution to journalArticle




    View all »



    View all »

    Frequent Journals

    • Physical Review B (Condensed Matter)

      ISSNs: 0163-1829, 1098-0121

      Additional searchable ISSN (Electronic): 1095-3795

      American Institute of Physics Publising LLC

      Scopus rating (2018): SJR 1.503


    • Journal of Physics: Condensed Matter

      ISSNs: 0953-8984

      Additional searchable ISSN (Electronic): 1361-648X

      IOP Publishing Ltd.

      Scopus rating (2018): SJR 0.943 SNIP 0.99


    • Journal of Chemical Physics

      ISSNs: 0021-9606

      Additional searchable ISSN (Electronic): 1089-7690

      American Institute of Physics Publising LLC

      Scopus rating (2018): SJR 1.159 SNIP 0.969


    • J. Phys. Chem. B

      ISSNs: 1520-6106, 1089-5647

      Additional searchable ISSN (Electronic): 1520-5207

      American Chemical Society

      Scopus rating (2018): SJR 1.109 SNIP 0.965


    • Physical Review Letters

      ISSNs: 0031-9007

      Additional searchable ISSN (Electronic): 1079-7114

      American Physical Society

      Scopus rating (2018): SJR 3.571 SNIP 2.532


    Latest contributions to conference papers, events and activities

    ID: 7554