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- reinforcement learningtechnology491 mentions
- density-functional theorytechnology386 mentions
- Transformertechnology371 mentions
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- U.S. Food and Drug Administrationorganization320 mentions
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- Model Context Protocoltechnology232 mentions
- machine learningtechnology204 mentions
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- OpenAIorganization172 mentions
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- IBMorganization163 mentions
Entity
density-functional theory
technology386 mentionslast seen Nov 13, 2026
A computational method used for high-throughput screening of altermagnetic materials.
Relationships 50+
- machine learning interatomic potentialdepends ondensity-functional theory99% confidence7 sources
- machine learningdepends ondensity-functional theory99% confidence4 sources
- tight-binding modeldepends ondensity-functional theory99% confidence3 sources
- density-functional theoryapplies toNi-Mn-Ga martensite99% confidence2 sources
- machine learning force fielddepends ondensity-functional theory99% confidence2 sources
- machine-learning molecular dynamicsdepends ondensity-functional theory99% confidence2 sources
- moment tensor potentialdepends ondensity-functional theory99% confidence2 sources
- machine-learned interatomic potentialdepends ondensity-functional theory99% confidence2 sources
- density-functional theorydepends onHubbard correction99% confidence2 sources
- density-functional theoryapplies tocomputational chemistry99% confidence2 sources
- twisted bilayer MoSSedepends ondensity-functional theory99% confidence2 sources
- density-functional theorydepends onmeta-generalized gradient approximation99% confidence2 sources
- density-functional theorydepends onlocal density approximation98% confidence2 sources
- surface passivationdepends ondensity-functional theory97% confidence2 sources
- density-functional theorydepends onHeyd-Scuseria-Ernzerhof hybrid functional97% confidence2 sources
- high-dimensional neural network potentialdepends ondensity-functional theory96% confidence1 source
- TB2Jdepends ondensity-functional theory96% confidence1 source
- effective cluster interactionsdepends ondensity-functional theory95% confidence1 source
- Equation Learner Neural Networkdepends ondensity-functional theory95% confidence1 source
- random-phase approximationdepends ondensity-functional theory95% confidence1 source
- density-functional theorydepends oncarbon monolayer95% confidence1 source
- Abinitimplementsdensity-functional theory95% confidence1 source
- physics-guided machine-learning frameworkdepends ondensity-functional theory95% confidence1 source
- density-functional theoryapplies tomanganese sulfide95% confidence1 source
- BaSnO3depends ondensity-functional theory95% confidence1 source
- Deep Potential methoddepends ondensity-functional theory95% confidence1 source
- germaniumdepends ondensity-functional theory95% confidence1 source
- UnIPHdepends ondensity-functional theory95% confidence1 source
- LatticeMinddepends ondensity-functional theory95% confidence1 source
- density-functional theoryapplies tosilicon95% confidence1 source
- deep neural network interatomic potentialdepends ondensity-functional theory95% confidence1 source
- density-functional perturbation theorydepends ondensity-functional theory95% confidence1 source
- multiscale simulation frameworkdepends ondensity-functional theory94% confidence1 source
- PAOFLOWdepends ondensity-functional theory94% confidence1 source
- phase-field fracture simulationdepends ondensity-functional theory93% confidence1 source
- electronic density representationdepends ondensity-functional theory93% confidence1 source
- numerical atomic orbital basisdepends ondensity-functional theory93% confidence1 source
- DFT + U methoddepends ondensity-functional theory93% confidence1 source
- machine learning accelerated atomistic modelingdepends ondensity-functional theory93% confidence1 source
- graph neural network interatomic potentialdepends ondensity-functional theory93% confidence1 source
- multi-orbital Anderson-Newns modeldepends ondensity-functional theory93% confidence1 source
- ab initio calculationdepends ondensity-functional theory93% confidence1 source
- ensemble Monte Carlodepends ondensity-functional theory93% confidence1 source
- Thomas-Fermi-von Weizsäcker approximationdepends ondensity-functional theory92% confidence1 source
- Co1/4TaSe2depends ondensity-functional theory92% confidence1 source
- tight-binding methoddepends ondensity-functional theory92% confidence1 source
- density-functional theorydepends onextended Hubbard correction92% confidence1 source
- AutoDrudedepends ondensity-functional theory92% confidence1 source
- many-body perturbation theorydepends ondensity-functional theory92% confidence1 source
- Nitrogen based electride superconductor Nb5Ir3N under pressure: multifunctional physical properties from DFT based first-principles investigationdepends ondensity-functional theory92% confidence1 source
Relationship
density-functional theorydepends onmeta-generalized gradient approximation
99% confidence2 supporting mentions
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Sources 2
- preprintarXivNov 11, 2026Defective $α$-In$_2$Se$_3$ from first principles
density functional theory with a state-of-the-art meta-generalized gradient approximation (meta-GGA) exchange-correlation functional
- preprintarXivNov 1, 2026Rationalizing defect formation energies in metals and semiconductors with semilocal density functionals
the meta-generalized gradient approximations (meta-GGAs)