K. Mathew
Materials Chemistry · 2013–2017
A researcher in the Science corpus: 6 papers; trusts 1 researcher and is trusted by 0 researchers here, as inferred from the citation graph.
Subfields
- Materials Chemistry — 92 citations into it
Whom K. Mathew trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
- Anubhav Jain
- Shyue Ping Ong
- Atsushi Togo
- Jochen Heyd
- Graeme Henkelman
- M. Blanco
- Shun-Li Shang
- James E. Saal
- Giovanni Pizzi
- H. Zhuang
Who trusts K. Mathew overall
Papers from K. Mathew's perspective
Ordered by how strongly the researchers K. Mathew trusts endorse each paper. Same corpus, a different order for every researcher.
- First principles phonon calculations in materials science
- Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
- An object-oriented scripting interface to a legacy electronic structure code (Comput. Sci. Eng.)
- Computational predictions of energy materials using density functional theory
- Parameter-free calculations of X-ray spectra with FEFF9. (Physical Chemistry, Chemical Physics - PCCP)
- Electrodes with High Power and High Capacity for Rechargeable Lithium Batteries (Science)
- A beginner's guide to the modern theory of polarization
- Managing the Computational Chemistry Big Data Problem: The ioChem-BD Platform (Journal of Chemical Information and Modeling)
- AiiDA: Automated Interactive Infrastructure and Database for Computational Science (arXiv.org)
- GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model☆
Their papers
- Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows (2017) — 329 citations
- Predicted Surface Composition and Thermodynamic Stability of MXenes in Solution (2016) — 228 citations
- Accuracy of exchange-correlation functionals and effect of solvation on the surface energy of copper (2013) — 197 citations
- Implicit self-consistent electrolyte model in plane-wave density-functional theory. (2016) — 1,090 citations
- Computational Screening of 2D Materials for Photocatalysis. (2015) — 698 citations
- Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways. (2013) — 2,512 citations