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Category:All HeadlinesWorld & GeopoliticsMarkets & EconomyTech & AIPoliticsSearch results for: "Band structure database o" (30 stories)

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A high-throughput framework and database for twisted 2D van der Waals bilayers
Lead StoryNaturegeneral
Dec 20, 2025

A high-throughput framework and database for twisted 2D van der Waals bilayers

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9yX2VrTzZZRlk0aTVyMHZCV1lBeE04TjBhbVg5eXlueENjcml2c3lKTV90VkdXaUxzME1WcnVCOVBOaDcycGtSOFAwX3dzZHZLcHVRU2x1TEd4Vm1GYjc0?oc=5" target="_blank">A high-throughput framework and database for twisted 2D van der Waals bilayers</a>  <font color="#6f6f6f">Nature</font>

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Search Results for "Band structure database o"

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29 stories displayed
Band structure database of layered intercalation compounds with various intercalant atoms and layered hosts
Natureworld

Band structure database of layered intercalation compounds with various intercalant atoms and layered hosts

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBtQ0RmMExGdjlFUm1ScTZaak1VV3pqaTcyQW1TdnRaMmFPWExaZnZEUEotWnk3V2FOQjJ5blpwM0dXQk1mSE5MaVQ0OHJFNVpmbjJDVTlGdDdJdUhMSV9z?oc=5" target="_blank">Band structure database of layered intercalation compounds with various intercalant atoms and layered hosts</a>  <font color="#6f6f6f">Nature</font>

SuperBand: an Electronic-band and Fermi surface structure database of superconductors
Naturegeneral

SuperBand: an Electronic-band and Fermi surface structure database of superconductors

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE5yVWlael96QkdtZ1NzOWlDQkVUcklKZkloTzI2WGR6NnhyaWxIcDg0X3dpcFBXOEtVZXJFU0tFUTdxdENtc3FPRHBndklFV29mY2ZRV1NxUTFQS0YtSW1j?oc=5" target="_blank">SuperBand: an Electronic-band and Fermi surface structure database of superconductors</a>  <font color="#6f6f6f">Nature</font>

A band-gap database for semiconducting inorganic materials calculated with hybrid functional
Natureworld

A band-gap database for semiconducting inorganic materials calculated with hybrid functional

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE00RkRqZDRtQmwxN3RNVTFDc1RybVI5Mjg0d3IwVm5hdlEwTnpxN3FORnBiYU8zei0zcmQ2c09lYjl0SFhwaTdwSkFHUW9qQmt5WHBKQmxCMWFaLUI4cEtR?oc=5" target="_blank">A band-gap database for semiconducting inorganic materials calculated with hybrid functional</a>  <font color="#6f6f6f">Nature</font>

Auto-generated database of semiconductor band gaps using ChemDataExtractor
Naturegeneral

Auto-generated database of semiconductor band gaps using ChemDataExtractor

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE5xSXRXbnpBSlhOU29zYklIem1ZcTNPNFdkcHQ4UWJ5blc0bHBNdElVdmZaNTAySVA1MVZ6VkduYjg4bXRCTVQ2VnNrZXJ3UWNObmJZYUpBNWxscTlsZDhj?oc=5" target="_blank">Auto-generated database of semiconductor band gaps using ChemDataExtractor</a>  <font color="#6f6f6f">Nature</font>

Elf autoencoder for unsupervised exploration of flat-band materials using electronic band structure fingerprints
Natureworld

Elf autoencoder for unsupervised exploration of flat-band materials using electronic band structure fingerprints

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBYT0pVQ29WLWNVVnR4X19yeTJ1N1NxZDhFaFNwMGpFVXVMdU1XY19QeGo5R0ViMWdUcDJmX2hWT3dqbkkta19XaFhTRjV0NEd1Y19HbVROa2hNZHlIYWtJ?oc=5" target="_blank">Elf autoencoder for unsupervised exploration of flat-band materials using electronic band structure fingerprints</a>  <font color="#6f6f6f">Nature</font>

High-throughput bandstructure simulations of van der Waals hetero-bilayers formed by 1T and 2H monolayers
Naturegeneral

High-throughput bandstructure simulations of van der Waals hetero-bilayers formed by 1T and 2H monolayers

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1POTR5Wkx0b0VlS2cyMnVwbHdEN3FrVGV0dEliU2dZR3JSMk5obmRFeV9OemFVN293VlI5d0FvNTBXRHU1ME8yWEVFdzU2NDZ2cTI0M005ZUNmR3JKUnRN?oc=5" target="_blank">High-throughput bandstructure simulations of van der Waals hetero-bilayers formed by 1T and 2H monolayers</a>  <font color="#6f6f6f">Nature</font>

Representing individual electronic states for machine learning GW band structures of 2D materials
Naturegeneral

Representing individual electronic states for machine learning GW band structures of 2D materials

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE03TDVNdjZfRFFyM0t0Y0hhRDE1bm1qanBISnZVT2FuOW1IRDI3QzdwMGlWX1RWYUtPX1VUMDd4aHg4WG0ybEx3THdqdE5jT3R0RFNSLWdpbWhWeEtQZEtB?oc=5" target="_blank">Representing individual electronic states for machine learning GW band structures of 2D materials</a>  <font color="#6f6f6f">Nature</font>

Materials Database from All-electron Hybrid Functional DFT Calculations
Natureworld

Materials Database from All-electron Hybrid Functional DFT Calculations

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9xYmVLODF5Skx0NGFoUTZHOEh3Y29qbkQ1amtBcTVnaTJkS3NsQWI0eURzRFlNMGpFSVltTGdIcGhlMzBoU3lmdXI4dlVDTlA1MGJvUGpjcmNHa2taVllV?oc=5" target="_blank">Materials Database from All-electron Hybrid Functional DFT Calculations</a>  <font color="#6f6f6f">Nature</font>

Automated design of hybrid halide perovskite monolayers for band gap engineering | npj Computational Materials
Naturegeneral

Automated design of hybrid halide perovskite monolayers for band gap engineering | npj Computational Materials

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1nYllZc2ZOOFc4YkoxdXlOUDMteGk1QzRaNTZFZWpFS2VSRV9ZMENTQjdIbUFnTWZRcDFwcmhaeTMxWlMtTmlWZjh6SXZoSUlqNkhQSEwyblJsTXVpVFg4?oc=5" target="_blank">Automated design of hybrid halide perovskite monolayers for band gap engineering | npj Computational Materials</a>  <font color="#6f6f6f">Nature</font>

Catalysis-Hub.org, an open electronic structure database for surface reactions
Naturegeneral

Catalysis-Hub.org, an open electronic structure database for surface reactions

<a href="https://news.google.com/rss/articles/CBMiXkFVX3lxTE1zakl2SjhjOWdhSTNxbXU4Wi1qc2RuaXZfcXJ6d09XSjFwR29RTjNYSmYxUWZFMTFhcVNITFpoM09DUEhrWnNHeU9sb0R2SHRYcWRra0hxaldDTmJyMkE?oc=5" target="_blank">Catalysis-Hub.org, an open electronic structure database for surface reactions</a>  <font color="#6f6f6f">Nature</font>

A machine learning route between band mapping and band structure
Naturegeneral

A machine learning route between band mapping and band structure

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBqbm1PUlR6VHg3NUxaekNWN1VYMkhUS1Zkc0JyOVdjV2VFdUxTMUNjZ1RjRG9hOUQ2am03bjRZN2M4bW1iYUZfZHdqMnFfREZ2RkJJRktqRlItRWVtX0Q4?oc=5" target="_blank">A machine learning route between band mapping and band structure</a>  <font color="#6f6f6f">Nature</font>

Deep learning approach to genome of two-dimensional materials with flat electronic bands
Naturegeneral

Deep learning approach to genome of two-dimensional materials with flat electronic bands

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE5TeE56U2syRnJDOEhLSEdaeThLOGxqR0U5ajJIT1VkMG91SVhGM1hMclJCM1hIMllCaU5OWUY2VUVuZnJ3QUl6VmRxRFVBemtydFk3OEFCaTJhbDZ2QTFJ?oc=5" target="_blank">Deep learning approach to genome of two-dimensional materials with flat electronic bands</a>  <font color="#6f6f6f">Nature</font>

Generative modelling of inorganic materials with explicit electronic structure
Naturegeneral

Generative modelling of inorganic materials with explicit electronic structure

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBJaXdYcmU5OVgxZFowc1oyZ084RFJBd082SW9XbmdBRFN4Qm1SamdwNi1DSWd2SFFIYUwxLVpXTnNrMzltbk1KWVdjbWdrX3BlTlB2SVBaS0xhX1ZzRl9R?oc=5" target="_blank">Generative modelling of inorganic materials with explicit electronic structure</a>  <font color="#6f6f6f">Nature</font>

Large scale dataset of real space electronic charge density of cubic inorganic materials from density functional theory (DFT) calculations
Naturescience

Large scale dataset of real space electronic charge density of cubic inorganic materials from density functional theory (DFT) calculations

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFA0aUd2ek9aMXhCWWxqN1g3bVFGc3Q5X3cweDdtNGhKVDdoRG1ERVMzbkdGVEJUVUt4VU1ZMXNFWDN1UDBBUzJTQTRfZUluMDhpNkVkNVR4cVpoTFB4QWRR?oc=5" target="_blank">Large scale dataset of real space electronic charge density of cubic inorganic materials from density functional theory (DFT) calculations</a>  <font color="#6f6f6f">Nature</font>

2DMatPedia, an open computational database of two-dimensional materials from top-down and bottom-up approaches
Naturegeneral

2DMatPedia, an open computational database of two-dimensional materials from top-down and bottom-up approaches

<a href="https://news.google.com/rss/articles/CBMiXkFVX3lxTE4tU2hCcS0wQWsxVUdORDZucHJRVVp0WElUTDlfazkwR21PUjh2Ry1HaVZCdEdhODdBSlFWZlEtcmthbzZGNGhZLTBRQk80N2NENXRiU2RIanlkYXdYckE?oc=5" target="_blank">2DMatPedia, an open computational database of two-dimensional materials from top-down and bottom-up approaches</a>  <font color="#6f6f6f">Nature</font>

Database of Wannier tight-binding Hamiltonians using high-throughput density functional theory
Natureworld

Database of Wannier tight-binding Hamiltonians using high-throughput density functional theory

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBDenVCeUl1S1RhV0x6T3owOVpFRm93Wi01aE1uTHcyWVJKRHJTV0pSckFMYy1QTm5qZUNUWVVCZ0hXeUFCdDM1WE9nV3c5Mkg1ZHdyVkVtZUo4Y0JtX1M4?oc=5" target="_blank">Database of Wannier tight-binding Hamiltonians using high-throughput density functional theory</a>  <font color="#6f6f6f">Nature</font>

High-throughput predictions of metal–organic framework electronic properties: theoretical challenges, graph neural networks, and data exploration | npj Computational Materials
Naturegeneral

High-throughput predictions of metal–organic framework electronic properties: theoretical challenges, graph neural networks, and data exploration | npj Computational Materials

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE5MT3lsbzNUR0pCNm1OTlhnMDY4XzNueHdWVUlualU0NHJoLVE5LWh5TEZySUg0N3AwZ2JLTEtRcUFIeGEyM29YUTFIWlc2NUh1UmhVaWNwbGdvaFFfQXFZ?oc=5" target="_blank">High-throughput predictions of metal–organic framework electronic properties: theoretical challenges, graph neural networks, and data exploration | npj Computational Materials</a>  <font color="#6f6f6f">Nature</font>

Materials informatics platform with three dimensional structures, workflow and thermoelectric applications
Naturegeneral

Materials informatics platform with three dimensional structures, workflow and thermoelectric applications

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBrYy1LWHpkWFpqbmU5Y1dXNVVQNy05QnFKTjMxWVdmeXpEaEZjMnBMUl9zQTMyWHZNY1lKTU1ydnZZMzFjMmNlNnpuU2FXaTJBakZXS3Z0TnFVZ1dsdFlV?oc=5" target="_blank">Materials informatics platform with three dimensional structures, workflow and thermoelectric applications</a>  <font color="#6f6f6f">Nature</font>

Unveiling the complex structure-property correlation of defects in 2D materials based on high throughput datasets
Natureworld

Unveiling the complex structure-property correlation of defects in 2D materials based on high throughput datasets

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9xRHZjRmpxcVJCM2Y0OEk4SzJsMjRzMTR5MXFXaUZnYU1YSzRSZU8yekdvVmRKZktOUmR3WkRvTzJGa2ktRXBEN1ZBdWhkT21LczJCdEtnVDVKQUZsMTN3?oc=5" target="_blank">Unveiling the complex structure-property correlation of defects in 2D materials based on high throughput datasets</a>  <font color="#6f6f6f">Nature</font>

An ab initio electronic transport database for inorganic materials
Naturegeneral

An ab initio electronic transport database for inorganic materials

<a href="https://news.google.com/rss/articles/CBMiVkFVX3lxTE5mejlyRXBPSHpIZ09iTE9pUGlLbGV4ZzZ6QjdQRTJVcE9tdVc5QmR6SzRGY25jUTluQzZUakxXR3F1V2VFTFRLUnFuZHR4TGEtbDB5UGpB?oc=5" target="_blank">An ab initio electronic transport database for inorganic materials</a>  <font color="#6f6f6f">Nature</font>

A rule-free workflow for the automated generation of databases from scientific literature
Naturegeneral

A rule-free workflow for the automated generation of databases from scientific literature

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE8xaFdSWU04NXg2Y29XSnFWSVNIM1FMZFpDenZjTk1WcFZ0NkxtVUpMQi1Wclh1OVFpRnZYU1lPMGRSbnFEZnRLY3FlOVI3TkhJUE1NcUVGR0F1cFNvMi04?oc=5" target="_blank">A rule-free workflow for the automated generation of databases from scientific literature</a>  <font color="#6f6f6f">Nature</font>

Identification of high-dielectric constant compounds from statistical design | npj Computational Materials
Natureworld

Identification of high-dielectric constant compounds from statistical design | npj Computational Materials

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1lWmlmVUV0RW1jLVZfY3pyWUk0T1NROHctYnFiREE4OC1GQnZleXU0eUUxU2J6b2ptUzhmVGxPZzdybk5wM3VQb0NBekE3X041eWI4YnVBRjhZWnNBTDln?oc=5" target="_blank">Identification of high-dielectric constant compounds from statistical design | npj Computational Materials</a>  <font color="#6f6f6f">Nature</font>

High-throughput ab initio calculations on dielectric constant and band gap of non-oxide dielectrics
Naturegeneral

High-throughput ab initio calculations on dielectric constant and band gap of non-oxide dielectrics

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE42V1FpeDctdDlVMXFDVk4xLUY5YktmOHdKbjBiMjItdURJa1FjZHlmMmpLbDQyYVZmRkFiSFlRYmZpU1FONE9Hb21EYmpSdFJVX2U2cDJHQ2ozNGJOTVlB?oc=5" target="_blank">High-throughput ab initio calculations on dielectric constant and band gap of non-oxide dielectrics</a>  <font color="#6f6f6f">Nature</font>

From density functional theory to machine learning predictive models for electrical properties of spinel oxides
Natureworld

From density functional theory to machine learning predictive models for electrical properties of spinel oxides

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBPNUhvck5zbm9MVndOdHNSNEN3ZFhYN1cyY1VDWlE3N21zci00SXl1NkY0MEhZbWIzbzFLS3dXTHpiQ2F6Ui05YnpIWWNyd1ZpRTlXZ0RQM2dyMFFTbGp3?oc=5" target="_blank">From density functional theory to machine learning predictive models for electrical properties of spinel oxides</a>  <font color="#6f6f6f">Nature</font>

Density-of-states similarity descriptor for unsupervised learning from materials data
Natureworld

Density-of-states similarity descriptor for unsupervised learning from materials data

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE82cnFucmpSVnNiVHVsZGx3STlZd0FfZHM3aURIOG9sSUtOYndEai1yYWpmSWc2YVBTQUIzZG1ZQWdFVjNFYW5OMnJ1V1hFV2dyak5hYkUzeWg1Q0l4R1BJ?oc=5" target="_blank">Density-of-states similarity descriptor for unsupervised learning from materials data</a>  <font color="#6f6f6f">Nature</font>

Descriptor engineering in machine learning regression of electronic structure properties for 2D materials
Naturegeneral

Descriptor engineering in machine learning regression of electronic structure properties for 2D materials

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBVWGlKcm9QQjNuT2x6VVdrdUduVk5ZeE80Y0ZOaU9wNEgyNVlNQWs5VjZkTXdFR3Jtbjc0cFNVTXgyTkFnLXlvenBNbU94TnpnNDQtemF6ZjhUTC14WEtB?oc=5" target="_blank">Descriptor engineering in machine learning regression of electronic structure properties for 2D materials</a>  <font color="#6f6f6f">Nature</font>

EKHI: an open database of optical and thermal radiative properties of solid materials
Naturegeneral

EKHI: an open database of optical and thermal radiative properties of solid materials

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE5yVV9zSjJRTURaUkRyR3QzTGM3dGdpcjdLM1loZDEyb0hOQjY0eUJCVEdxS2pQYkJxaGI4azdyd0ZGUFoybWhURkRkQi1SY1VoajNlVVF6bGQ0OS1NMm1R?oc=5" target="_blank">EKHI: an open database of optical and thermal radiative properties of solid materials</a>  <font color="#6f6f6f">Nature</font>

3DSC - a dataset of superconductors including crystal structures
Naturegeneral

3DSC - a dataset of superconductors including crystal structures

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1JeEtiQVRUZzZZRjEySjQzSUZNV0NJZ2poM3FwYXVuaVJGZmNwN0UzSnpJZTQzTUx5Z2dWT3JSZy16TDZkdzdyb3N0UzZuODZKUXdGS25SOEFCczFLQmtn?oc=5" target="_blank">3DSC - a dataset of superconductors including crystal structures</a>  <font color="#6f6f6f">Nature</font>

The diversity of three-dimensional photonic crystals
Naturegeneral

The diversity of three-dimensional photonic crystals

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE11djFRWm93UVJrRjlnYk5iSjNNaU0yaFVUTnMzSDJYTGVtY3p4NTk0QVFzNVRlZkVsUi05WC0tSllZbTQwYXpVUVlERXI4UTBoM0hrN1c3WlRyTVc0bFB3?oc=5" target="_blank">The diversity of three-dimensional photonic crystals</a>  <font color="#6f6f6f">Nature</font>

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