Sign in
Facet browsing currently unavailable
Page 1 of 1312 results
Sort by: relevance publication year
|
Topology-enhanced mechanical stability of swelling nanoporous electrodes JOURNAL ARTICLE published 29 June 2023 in npj Computational Materials Research funded by DOE | SC | Basic Energy Sciences (DE-FG02-07ER46400,DE-FG02-07ER46400,DE-FG02-07ER46400) |
|
X-ray scattering tensor tomography based finite element modelling of heterogeneous materials JOURNAL ARTICLE published 11 March 2024 in npj Computational Materials Research funded by EC | Horizon 2020 Framework Programme (765604,765604,765604,765604,765604,765604) |
|
Degradation mechanism analysis of LiNi0.5Co0.2Mn0.3O2 single crystal cathode materials through machine learning JOURNAL ARTICLE published 3 November 2022 in npj Computational Materials Research funded by State Grid Corporation of China (5211UZ2000K1) | China Postdoctoral Science Foundation (2019M662612) |
|
cmtj: Simulation package for analysis of multilayer spintronic devices JOURNAL ARTICLE published 6 April 2023 in npj Computational Materials Research funded by Narodowe Centrum Nauki (UMO-2016/23/B/ST3/01430,2021/40/Q/ST5/00209,UMO-2016/23/B/ST3/01430) |
|
Performance of two complementary machine-learned potentials in modelling chemically complex systems JOURNAL ARTICLE published 25 July 2023 in npj Computational Materials |
|
Coupled cluster finite temperature simulations of periodic materials via machine learning JOURNAL ARTICLE published 4 April 2024 in npj Computational Materials |
|
Robust and tunable Weyl phases by coherent infrared phonons in ZrTe5 JOURNAL ARTICLE published 17 May 2022 in npj Computational Materials Research funded by U.S. Department of Energy (DE-SC0012704,DE-SC0012704,DE-SC0012704,DE-SC0012704,DE-SC0012704) | National Natural Science Foundation of China (11774119,11774119) |
|
JARVIS-Leaderboard: a large scale benchmark of materials design methods JOURNAL ARTICLE published 7 May 2024 in npj Computational Materials Research funded by United States Department of Commerce | National Institute of Standards and Technology (70NANB19H005) | National Science Foundation (CMMI-2053929) | United States Department of Commerce | National Institute of Standards and Technology (70NANB19H005) | National Science Foundation (CMMI-2053929) | U.S. Department of Energy (20220814PRD4) | U.S. Department of Energy (20210036DR) | U.S. Department of Energy (20220814PRD4) | National Science Foundation (CBET-1845531) |
|
Machine-learning driven global optimization of surface adsorbate geometries JOURNAL ARTICLE published 26 June 2023 in npj Computational Materials |
|
Active learning to overcome exponential-wall problem for effective structure prediction of chemical-disordered materials JOURNAL ARTICLE published 20 January 2023 in npj Computational Materials |
|
Accelerating evaluation of converged lattice thermal conductivity JOURNAL ARTICLE published 22 January 2018 in npj Computational Materials |
|
Implementation of distortion symmetry for the nudged elastic band method with DiSPy JOURNAL ARTICLE published 23 April 2019 in npj Computational Materials |
|
Contribution of point defects and nano-grains to thermal transport behaviours of oxide-based thermoelectrics JOURNAL ARTICLE published 12 August 2016 in npj Computational Materials |
|
Predominance of non-adiabatic effects in zero-point renormalization of the electronic band gap JOURNAL ARTICLE published 6 November 2020 in npj Computational Materials |
|
Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon JOURNAL ARTICLE published 28 June 2021 in npj Computational Materials Research funded by Deutsche Forschungsgemeinschaft (405621217) |
|
Understanding X-ray absorption spectra by means of descriptors and machine learning algorithms JOURNAL ARTICLE published 13 December 2021 in npj Computational Materials Research funded by Russian Foundation for Basic Research (20-32-70227) |
|
The kinetics of static recovery by dislocation climb JOURNAL ARTICLE published 5 May 2022 in npj Computational Materials |
|
Atom table convolutional neural networks for an accurate prediction of compounds properties JOURNAL ARTICLE published 8 August 2019 in npj Computational Materials |
|
Composition design of high-entropy alloys with deep sets learning JOURNAL ARTICLE published 28 April 2022 in npj Computational Materials Research funded by National Science Foundation (OAC-1940114,DMR-1945380,OAC-1940114,OAC-2039794,OAC-1940114,OAC-2039794) |
|
Machine learning-aided first-principles calculations of redox potentials JOURNAL ARTICLE published 20 May 2024 in npj Computational Materials |