Research Output per year
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.
Profiles
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 journal › Article
Open Access
File
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 journal › Comment/debate
Open Access
File
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 journal › Letter
Open Access
File
31
Citations
(Scopus)
196
Downloads
(Pure)
Prizes
Cesar Milstein Fellowship
Jorge Kohanoff (Recipient), 01 Oct 2010
Prize: Fellowship awarded competitively
Activities
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 types › Oral presentation
Autumn meeting 2018 of the Brazilian Physical Society
Jorge Kohanoff (Invited speaker)07 May 2018 → 11 May 2018
Activity: Participating in or organising an event types › Participation 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 2018 → 20 Apr 2018
Activity: Participating in or organising an event types › Participation in workshop, seminar, course
Press / Media
Enigma Code-breaking Workshop at QUB, 2015
18/11/2015
1 Media contribution
Press/Media: Public Engagement Activities
Impact
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