标题
Discovering and understanding materials through computation
作者
关键词
-
出版物
NATURE MATERIALS
Volume 20, Issue 6, Pages 728-735
出版商
Springer Science and Business Media LLC
发表日期
2021-05-28
DOI
10.1038/s41563-021-01015-1
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Machine-learned potentials for next-generation matter simulations
- (2021) Pascal Friederich et al. NATURE MATERIALS
- Mesoscopic and multiscale modelling in materials
- (2021) Jacob Fish et al. NATURE MATERIALS
- Electronic-structure methods for materials design
- (2021) Nicola Marzari et al. NATURE MATERIALS
- From predictive modelling to machine learning and reverse engineering of colloidal self-assembly
- (2021) Marjolein Dijkstra et al. NATURE MATERIALS
- Improved protein structure prediction using potentials from deep learning
- (2020) Andrew W. Senior et al. NATURE
- Universal slow plasmons and giant field enhancement in atomically thin quasi-two-dimensional metals
- (2020) Felipe H. da Jornada et al. Nature Communications
- Ab initio phase diagram and nucleation of gallium
- (2020) Haiyang Niu et al. Nature Communications
- Electron-Phonon Coupling from Ab Initio Linear-Response Theory within the GW Method: Correlation-Enhanced Interactions and Superconductivity in Ba1−xKxBiO3
- (2019) Zhenglu Li et al. PHYSICAL REVIEW LETTERS
- Particle analogs of electrons in colloidal crystals
- (2019) Martin Girard et al. SCIENCE
- Quantum supremacy using a programmable superconducting processor
- (2019) Frank Arute et al. NATURE
- Buildup of the Solid Electrolyte Interphase on Lithium-Metal Anodes: Reactive Molecular Dynamics Study
- (2018) Samuel Bertolini et al. Journal of Physical Chemistry C
- Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics
- (2018) Linfeng Zhang et al. PHYSICAL REVIEW LETTERS
- Colloquium : Excitons in atomically thin transition metal dichalcogenides
- (2018) Gang Wang et al. REVIEWS OF MODERN PHYSICS
- NOMAD: The FAIR concept for big data-driven materials science
- (2018) Claudia Draxl et al. MRS BULLETIN
- Microscopic picture of water-ethylene glycol interaction near a model DNA by computer simulation: Concentration dependence, structure, and localized thermodynamics
- (2018) Atul Kumar Jaiswal et al. PLoS One
- Hardware-efficient variational quantum eigensolver for small molecules and quantum magnets
- (2017) Abhinav Kandala et al. NATURE
- Modelling heterogeneous interfaces for solar water splitting
- (2017) Tuan Anh Pham et al. NATURE MATERIALS
- Electron-phonon interactions from first principles
- (2017) Feliciano Giustino REVIEWS OF MODERN PHYSICS
- Mixed Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations of Biological Systems in Ground and Electronically Excited States
- (2015) Elizabeth Brunk et al. CHEMICAL REVIEWS
- Quantum-dot-in-perovskite solids
- (2015) Zhijun Ning et al. NATURE
- First-principles nonequilibrium Green's-function approach to transient photoabsorption: Application to atoms
- (2015) E. Perfetto et al. PHYSICAL REVIEW A
- Density functional theory: Its origins, rise to prominence, and future
- (2015) R. O. Jones REVIEWS OF MODERN PHYSICS
- Nonlinear optics from anab initioapproach by means of the dynamical Berry phase: Application to second- and third-harmonic generation in semiconductors
- (2013) C. Attaccalite et al. PHYSICAL REVIEW B
- Optical Spectrum ofMoS2: Many-Body Effects and Diversity of Exciton States
- (2013) Diana Y. Qiu et al. PHYSICAL REVIEW LETTERS
- Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
- (2013) Anubhav Jain et al. APL Materials
- Predictions of crack propagation using a variational multiscale approach and its application to fracture in laminated fiber reinforced composites
- (2012) Shiva Rudraraju et al. COMPOSITE STRUCTURES
- BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures
- (2011) Jack Deslippe et al. COMPUTER PHYSICS COMMUNICATIONS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search