Evidence map›Paper›PMID 38040714›Full record

ArticleNature communications2023

High-throughput ab initio design of atomic interfaces using InterMatch.

Eli Gerber, Steven B Torrisi, Sara Shabani, Eric Seewald, Jordan Pack, Jennifer E Hoffman, Cory R Dean, Abhay N Pasupathy, Eun-Ah Kim

Abstract read
In one paragraph

Article in Nature communications, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.

0numbers the graph read from it
0cells of the map it votes in
8citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

8 citing papers in PubMed.

  1. Article
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  4. Review
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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

9 authors.

Eli GerberSchool of Applied and Engineering Physics, Cornell University, Ithaca, NY, 14853, USA. eg587@cornell.edu.ORCID http://orcid.org/0000-0002-9594-6450
Steven B TorrisiDepartment of Physics, Harvard University, Cambridge, MA, 02138, USA.
Sara ShabaniDepartment of Physics, Columbia University, New York, NY, USA.ORCID http://orcid.org/0000-0002-9524-9380
Eric SeewaldDepartment of Physics, Columbia University, New York, NY, USA.
Jordan PackDepartment of Physics, Columbia University, New York, NY, USA.
Jennifer E HoffmanDepartment of Physics, Harvard University, Cambridge, MA, 02138, USA.ORCID http://orcid.org/0000-0003-2752-5379
Cory R DeanDepartment of Physics, Columbia University, New York, NY, USA.ORCID http://orcid.org/0000-0003-2967-5960
Abhay N PasupathyDepartment of Physics, Columbia University, New York, NY, USA.ORCID http://orcid.org/0000-0002-2744-0634
Eun-Ah KimDepartment of Physics, Cornell University, Ithaca, NY, 14853, USA.ORCID http://orcid.org/0000-0002-9554-4443

Funding

Cornell University | Cornell Center for Materials Research (CCMR) DMR-1719875
6 · The paper itself

Abstract

Forming a hetero-interface is a materials-design strategy that can access an astronomically large phase space. However, the immense phase space necessitates a high-throughput approach for an optimal interface design. Here we introduce a high-throughput computational framework, InterMatch, for efficiently predicting charge transfer, strain, and superlattice structure of an interface by leveraging the databases of individual bulk materials. Specifically, the algorithm reads in the lattice vectors, density of states, and the stiffness tensors for each material in their isolated form from the Materials Project. From these bulk properties, InterMatch estimates the interfacial properties. We benchmark InterMatch predictions for the charge transfer against experimental measurements and supercell density-functional theory calculations. We then use InterMatch to predict promising interface candidates for doping transition metal dichalcogenide MoSe

Identifiers

PMID38040714
PMCPMC10692083

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.