• BT7 1NN

    United Kingdom

Organisation profile

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.

Fingerprint Dive into the research topics where Atomistic Simulation Centre (ASC) is active. These topic labels come from the works of this organisation's members. Together they form a unique fingerprint.

  • Network Recent external collaboration on country level. Dive into details by clicking on the dots.

    Research Output

    Multiple-probe electronic open boundaries with bad contacts

    Todorov, T. N. & Horsfield, A. P., 15 Jan 2019, In : Physical Review B. 99, 4, 6 p., 045415.

    Research output: Contribution to journalArticle

    Open Access
  • 106 Downloads (Pure)

    Promoting transparency and reproducibility in enhanced molecular simulations

    The PLUMED consortium, 01 Aug 2019, In : Nature Methods. 16, 8, p. 670-673 4 p.

    Research output: Contribution to journalComment/debate

    Open Access
  • 19 Citations (Scopus)
    34 Downloads (Pure)

    Spatially resolved steady-state negative capacitance

    Yadav, A. K., Nguyen, K. X., Hong, Z., García-Fernández, P., Aguado-Puente, P., Nelson, C. T., Das, S., Prasad, B., Kwon, D., Cheema, S., Khan, A. I., Hu, C., Íñiguez, J., Junquera, J., Chen, L. Q., Muller, D. A., Ramesh, R. & Salahuddin, S., 24 Jan 2019, In : Nature. 565, 7740, p. 468-471 4 p.

    Research output: Contribution to journalLetter

    Open Access
  • 31 Citations (Scopus)
    196 Downloads (Pure)


    Cesar Milstein Fellowship

    Jorge Kohanoff (Recipient), 01 Oct 2010

    Prize: Fellowship awarded competitively


    Nanopolaritons of single graphene quantum dots

    Fumin Huang (Speaker), Joel Katzen (Contributor), Christos Tserkezis (Contributor), Qiran Cai (Contributor), Lu Hua Li (Contributor), Jun Min Kim (Contributor), Gaehang Lee (Contributor), Gi-Ra Yi (Contributor), William Hendren (Contributor), Elton Santos (Contributor), Robert Bowman (Contributor)
    24 Sep 2019

    Activity: Talk or presentation typesOral presentation

    Autumn meeting 2018 of the Brazilian Physical Society

    Jorge Kohanoff (Invited speaker)
    07 May 201811 May 2018

    Activity: Participating in or organising an event typesParticipation in workshop, seminar, course

    Joint ICTP-IAEA School and Workshop on Fundamental Methods for Atomic, Molecular and Materials Properties in Plasma Environments

    Jorge Kohanoff (Invited speaker)
    16 Apr 201820 Apr 2018

    Activity: Participating in or organising an event typesParticipation in workshop, seminar, course

    Press / Media

    TV interview

    Jorge Kohanoff


    1 item of Media coverage

    Press/Media: Public Engagement Activities

    Enigma Code-breaking Workshop at QUB, 2015

    Daniel Dundas


    1 Media contribution

    Press/Media: Public Engagement Activities


    Impact of the HELIUM Code on UK Government Procurement and Provision of National High-Performance Computing Facility HECToR

    Jonathan Parker (Participant), Karen Cairns (Participant), Daniel Dundas (Participant), Kenneth Taylor (Participant)

    Impact: Public Service Impact