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An efficient forgetting-aware fine-tuning framework for pretrained universal machine-learning interatomic potentials

Jisu Kim
Jiho Lee
Youngho Kang
ResearchOpen Access17 Dec 2025
npj Computational Materials

Volume: 12, P: 1-17
Atomic structure of conducting nanofilaments in TiO₂ resistive switching memory

Nanoscale filaments with a Magnéli structure are shown to be responsible for resistance switching in thin films of TiO₂, and the properties of the filaments are directly observed during the switching process.

Deok-Hwang Kwon
Kyung Min Kim
Cheol Seong Hwang
Research17 Jan 2010
Nature Nanotechnology

Volume: 5, P: 148-153
High-throughput ab initio calculations on dielectric constant and band gap of non-oxide dielectrics

Miso Lee
Yong Youn
Seungwu Han
ResearchOpen Access04 Oct 2018
Scientific Reports

Volume: 8, P: 1-8
Origin of Degradation Phenomenon under Drain Bias Stress for Oxide Thin Film Transistors using IGZO and IGO Channel Layers

Jun Yong Bak
Youngho Kang
Sung-Min Yoon
ResearchOpen Access20 Jan 2015
Scientific Reports

Volume: 5, P: 1-5
Anion control as a strategy to achieve high-mobility and high-stability oxide thin-film transistors

Hyun-Suk Kim
Sang Ho Jeon
Kinam Kim
ResearchOpen Access15 Mar 2013
Scientific Reports

Volume: 3, P: 1-7
Origin of the improved mobility and photo-bias stability in a double-channel metal oxide transistor

Hong Yoon Jung
Youngho Kang
Jae Kyeong Jeong
ResearchOpen Access20 Jan 2014
Scientific Reports

Volume: 4, P: 1-8
Light-Induced Peroxide Formation in ZnO: Origin of Persistent Photoconductivity

Youngho Kang
Ho-Hyun Nahm
Seungwu Han
ResearchOpen Access17 Oct 2016
Scientific Reports

Volume: 6, P: 1-7
Effect of Nb concentration on the spin-orbit coupling strength in Nb-doped SrTiO₃ epitaxial thin films

Seong Won Cho
Milim Lee
Suyoun Lee
ResearchOpen Access10 Apr 2018
Scientific Reports

Volume: 8, P: 1-8
Neural network-driven molecular insights into alkaline wet etching of GaN: toward atomistic precision in nanostructure fabrication

Purun-hanul Kim
Jeong Min Choi
Youngho Kang
ResearchOpen Access20 Oct 2025
npj Computational Materials

Volume: 11, P: 1-12
Best practices in machine learning for chemistry

Statistical tools based on machine learning are becoming integrated into chemistry research workflows. We discuss the elements necessary to train reliable, repeatable and reproducible models, and recommend a set of guidelines for machine learning reports.

Nongnuch Artrith
Keith T. Butler
Aron Walsh
Comments & Opinion31 May 2021
Nature Chemistry

Volume: 13, P: 505-508
Accelerated identification of equilibrium structures of multicomponent inorganic crystals using machine learning potentials

Sungwoo Kang
Wonseok Jeong
Seungwu Han
ResearchOpen Access12 May 2022
npj Computational Materials

Volume: 8, P: 1-10
A band-gap database for semiconducting inorganic materials calculated with hybrid functional

Sangtae Kim
Miso Lee
Seungwu Han
ResearchOpen Access11 Nov 2020
Scientific Data

Volume: 7, P: 1-6
Field-like spin–orbit torque induced by bulk Rashba channels in GeTe/NiFe bilayers

We find a very large field-like spin-orbit torque in a bulk Rashba channel/ferromagnet structure and this large value of spin-orbit torque is attributed to the interfacial spin-orbit coupling enhanced by the well-grown bulk Rashba material.

Jeehoon Jeon
Seong Won Cho
Hyun Cheol Koo
ResearchOpen Access26 Nov 2021
NPG Asia Materials

Volume: 13, P: 1-9
Growth of high-quality semiconducting tellurium films for high-performance p-channel field-effect transistors with wafer-scale uniformity

Taikyu Kim
Cheol Hee Choi
Jae Kyeong Jeong
ResearchOpen Access13 Jan 2022
npj 2D Materials and Applications

Volume: 6, P: 1-7
Metadynamics sampling in atomic environment space for collecting training data for machine learning potentials

Dongsun Yoo
Jisu Jung
Seungwu Han
ResearchOpen Access16 Aug 2021
npj Computational Materials

Volume: 7, P: 1-9
Effects of the Heterointerface on the Growth Characteristics of a Brownmillerite SrFeO_2.5 Thin Film Grown on SrRuO₃ and SrTiO₃ Perovskites

Janghyun Jo
Venkata Raveendra Nallagatlla
Chang Uk Jung
ResearchOpen Access02 Mar 2020
Scientific Reports

Volume: 10, P: 1-9
Computational discovery of p-type transparent oxide semiconductors using hydrogen descriptor

Kanghoon Yim
Yong Youn
Seungwu Han
ResearchOpen Access03 Apr 2018
npj Computational Materials

Volume: 4, P: 1-7
Property database for single-element doping in ZnO obtained by automated first-principles calculations

Kanghoon Yim
Joohee Lee
Seungwu Han
ResearchOpen Access23 Jan 2017
Scientific Reports

Volume: 7, P: 1-10
Novel high-κ dielectrics for next-generation electronic devices screened by automated ab initio calculations

Novel high-κ dielectric materials are identified by automated ab initio calculations on ~1800 oxides. The cubic BeO is found to possess an unprecedented material property of 10 eV for band gap and 275 for dielectric constant. Candidate high-κ oxides are suggested for microelectronic devices such as CPU, DRAM and flash memory.

Kanghoon Yim
Youn Yong
Seungwu Han
ResearchOpen Access12 Jun 2015
NPG Asia Materials

Volume: 7, P: e190

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An efficient forgetting-aware fine-tuning framework for pretrained universal machine-learning interatomic potentials

Atomic structure of conducting nanofilaments in TiO₂ resistive switching memory

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

Origin of Degradation Phenomenon under Drain Bias Stress for Oxide Thin Film Transistors using IGZO and IGO Channel Layers

Anion control as a strategy to achieve high-mobility and high-stability oxide thin-film transistors

Origin of the improved mobility and photo-bias stability in a double-channel metal oxide transistor

Light-Induced Peroxide Formation in ZnO: Origin of Persistent Photoconductivity

Effect of Nb concentration on the spin-orbit coupling strength in Nb-doped SrTiO₃ epitaxial thin films

Neural network-driven molecular insights into alkaline wet etching of GaN: toward atomistic precision in nanostructure fabrication

Best practices in machine learning for chemistry

Accelerated identification of equilibrium structures of multicomponent inorganic crystals using machine learning potentials

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

Field-like spin–orbit torque induced by bulk Rashba channels in GeTe/NiFe bilayers

Growth of high-quality semiconducting tellurium films for high-performance p-channel field-effect transistors with wafer-scale uniformity

Metadynamics sampling in atomic environment space for collecting training data for machine learning potentials

Effects of the Heterointerface on the Growth Characteristics of a Brownmillerite SrFeO_2.5 Thin Film Grown on SrRuO₃ and SrTiO₃ Perovskites

Computational discovery of p-type transparent oxide semiconductors using hydrogen descriptor

Property database for single-element doping in ZnO obtained by automated first-principles calculations

Novel high-κ dielectrics for next-generation electronic devices screened by automated ab initio calculations

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