#electronicstructure search results
PRB Editors' Suggestion: #ElectronicStructure of the #Bi2Te3 non-van der Waals surface I. A. Shvets, S. V. Eremeev, V. A. Golyashov, N. Kumar, A. S. Tarasov, K. A. Kokh, and O. E. Tereshchenko PRB 112, 155166 ➡️ go.aps.org/48UjQH5 #EdSugg @APSPhysics #physics #condmat
Today @albaclierta explained the potential use of #QuantumComputing for #electronicstructure calculations @IQTCUB @QuimicaUB @QUANTIC_BSC @BSC_CNS
"Introduction to #Graphene-Based #Nanomaterials: From #ElectronicStructure to #QuantumTransport" Self portrait with book & author @StephanSroche ! More on introductiontographene.org cambridge.org/es/academic/su…
[Highlight Review] Electrochemical interface | EC-TERS | Electronic structure Review by Dr. Yousoo Kim and Dr. Yasuyuki Yokota @riken_en (RIKEN) is available as Open Access #ElectroChemistry #ElectronicStructure #Spectroscopy journal.csj.jp/doi/abs/10.124…
![CSJjournals_jp's tweet image. [Highlight Review]
Electrochemical interface | EC-TERS | Electronic structure
Review by Dr. Yousoo Kim and Dr. Yasuyuki Yokota @riken_en (RIKEN) is available as Open Access
#ElectroChemistry #ElectronicStructure #Spectroscopy
journal.csj.jp/doi/abs/10.124…](https://pbs.twimg.com/media/E0qcld4UYAABDAk.jpg)
Is the Helium atom actually a multi-configurational system? The short answer is, that it depends heavily on the orbitals. erikkjellgren.com/2023/07/23/is_… #compchem #comphys #electronicstructure #computationalchemistry #QuantumChemistry
Check out the latest research in #ElectronicStructure including “Computational prediction of thermoelectric properties of 2D materials” ow.ly/Tz4V50K754a
Electronic Structure of B20 (FeSi-Type) Transition-Metal Monosilicides sci.fo/636 #ElectronicStructure #TopologicalSemimetal @Materials_Mdpi
Read the latest Focus Issue in #ElectronicStructure centring on Van der Waals Interactions now! ow.ly/UPoL50K77Ey
Carbon dioxide | Polydimethylsiloxane | X-ray emission spectroscopy Article by Prof. Atsushi Takahara @KyushuUniv_EN (Kyushu University) is available as Open Access #CarbonDioxide #ElectronicStructure #Polydimethylsiloxane journal.csj.jp/doi/abs/10.124…
How does a Cu-complex featuring a redox-active ligand stabilize the nitrene radical to promote efficient N–N coupling? Check out our joint work with Dr. Nanda D. Paul's group published in @angew_chem. #metalnitrenes #electronicstructure onlinelibrary.wiley.com/doi/10.1002/an…
![CompCatLab's tweet card. Using a well-defined Cu(II)-catalyst [CuII(L1)Cl2] (1) bearing 2,6-bis(phenyldiazenyl)pyridine (L1) as ligand, the otherwise copper-stabilized electrophilic nitrenoid species is transformed to a...](https://pbs.twimg.com/card_img/1985885470761590784/e5ZOHXsW?format=jpg&name=orig)
Dr. Michael Schuurman is talking about his team’s new quantum chemistry methods designed to describe the interaction of light with molecules today at WATOC. ow.ly/OnAi50JOG36 #NRCQuantum #ComputationalChemistry #ElectronicStructure
CAMD Summer School 2022 --- Electronic Structure Theory and Materials Design, August 14-19, 2022... psi-k.net/events/the-cam…. The primary purpose of this summer school is to teach the students how #electronicstructure theory can be used for materials design.
Prof. Yang Lexian from the Department of Physics is the first to reveal the fundamental #electronicstructure characteristics of CsCr3Sb5, particularly the presence of #flatbands and strong #electroncorrelation effects. #InnovativeTsinghua More: bit.ly/3R4euyX
PRB Editors' Suggestion: Pressure and strain effects on the #AbInitio 𝐺𝑊 #ElectronicStructure of #La3Ni2O7 J.-B. de Vaulx, Q. N. Meier, P. Toulemonde, A. Cano, and V. Olevano Phys. Rev. B 112, 085143 ➡️ go.aps.org/4gdNBV7 #EdSugg @APSPhysics #physics #condmat
New #openaccess technical note published in Electronic Structure on electron localisation descriptors in ONETEP, a tool for interpreting localisation and bonding in large-scale DFT calculations (@UoSChemistry @BristolChem) #ElectronicStructure #compchem
On the road again... we're officially at Psi-K in Lausanne @Psik_Network! Kate Porter, our Senior Publisher for @IOPmaterials is there representing EST and JPCM. Happy to chat all things #ElectronicStructure - let us know if you'll be there! Some exciting talks lined up... 🤩
A comprehensive overview of the synthesis and #electronicstructure of #electrondeficient small boron ring compounds is given by Himmel (#UniHeidelberg). doi.wiley.com/10.1002/anie.2…
PRB Editors' Suggestion: #ElectronicStructure of the #Bi2Te3 non-van der Waals surface I. A. Shvets, S. V. Eremeev, V. A. Golyashov, N. Kumar, A. S. Tarasov, K. A. Kokh, and O. E. Tereshchenko PRB 112, 155166 ➡️ go.aps.org/48UjQH5 #EdSugg @APSPhysics #physics #condmat
Check out the latest work from the HQC2 project (hqc2.github.io), which I have made in collaboration with @PeterReinholdt, Karl Michael Ziems, Stephan P. A. Sauer, Sonia Coriani, and Jacob Kongsted doi.org/10.1063/5.0284… #compchem #electronicstructure
【MANA Digest 2024】 量⼦物質特性グループ（グループリーダー：寺嶋 太一）による量子材料の未来を感じる研究を🧪 MANA Digest 2024 で紹介。量子材料分野の大きな一歩。 nims.go.jp/mana/manadiges… #Superconductivity #Topologicalmaterial #Electronicstructure #Quantumvortex #Charge_order
【MANA Digest 2024】 A research from the Quantum Material Properties Group (Group Leader Taichi Terashima) is featured in MANA Digest 2024. A step toward the future nims.go.jp/mana/manadiges… #Superconductivity #Topologicalmaterial #Electronicstructure #Quantumvortex #Charge_order
#PRBTopDownload: #ElectronicStructure, #magnetic transition, and #FermiSurface instability of the room-temperature #altermagnet #KV2Se2O Y. Xu, H. Zhang et al., Phys. Rev. B 112, 125141 – Published 17 September, 2025 ➡️ go.aps.org/47RvfXJ #condmat #physics @APSPhysics
⭐The latest article: Axial chlorine-induced asymmetric cobalt single-atom coordination fields for boosting oxygen reduction reaction oaepublish.com/articles/micro… #singleatomcatalyst, #chlorineaxialcoordination, #electronicstructure,#battery, #openaccess @OAE_Publishing
PRB Editors' Suggestion: Pressure and strain effects on the #AbInitio 𝐺𝑊 #ElectronicStructure of #La3Ni2O7 J.-B. de Vaulx, Q. N. Meier, P. Toulemonde, A. Cano, and V. Olevano Phys. Rev. B 112, 085143 ➡️ go.aps.org/4gdNBV7 #EdSugg @APSPhysics #physics #condmat
How does a Cu-complex featuring a redox-active ligand stabilize the nitrene radical to promote efficient N–N coupling? Check out our joint work with Dr. Nanda D. Paul's group published in @angew_chem. #metalnitrenes #electronicstructure onlinelibrary.wiley.com/doi/10.1002/an…
#PRBTopDownload: Surface preparation method for investigating the 3D #ElectronicStructure of #perovskite #nickelates Y. Zhong, K. Lee, R. Bhatta et al. Phys. Rev. B 112, 035160 – Published 23 July, 2025 ➡️ go.aps.org/45bS9Gm #OpenAccess #condmat #physics @APSPhysics
Simon Orlat et al.: Crystal-field splitting strength of U-6d orbitals in NaUO3, KUO3 and RbUO3 #XRayAbsorptionSpectroscopy #HERFDXANES #ElectronicStructure ... #IUCr journals.iucr.org/paper?S1600577…
Prof. Yang Lexian from the Department of Physics is the first to reveal the fundamental #electronicstructure characteristics of CsCr3Sb5, particularly the presence of #flatbands and strong #electroncorrelation effects. #InnovativeTsinghua More: bit.ly/3R4euyX
Prof. Yang Lexian from the Department of Physics is the first to reveal the fundamental #electronicstructure characteristics of CsCr3Sb5, particularly the presence of #flatbands and strong #electroncorrelation effects. #InnovativeTsinghua More: bit.ly/3R4euyX
PRB Editors' Suggestion: #ElectronicStructure of #𝐴V3Sb5 #KagomeMetals Keyu Zeng, Zhan Wang, Kun Jiang, and Ziqiang Wang Phys. Rev. B 111, 235114 ➡️ go.aps.org/4jA9sG5 #EdSugg @APSPhysics #physics #condmat
New ternary boride MgNiB4 @ActaCrystC doi.org/10.1107/S20532… @lvivuniversity #JanDlugoszUniversityinCzestochowa @SimonsFdn @MON_UKRAINE #crystalstructure #electronicstructure #intermetallic #hydride #orthrhombic #ternaryboride #hydrogenabsorption #crystallography
PRB Editors' Suggestion: Probing the #ElectronicStructure at the boundary of #TopologicalInsulators in the #Bi2Se3 family by combined #ScanningTunneling and #AtomicForceMicroscopy C. S. Setescak et al. PRB 111, 165305 ➡️ go.aps.org/44KDEdM #EdSugg @APSPhysics #physics
Pavlyuk et al.: New ternary boride MgNiB4: structural and hydriding properties #CrystalStructure #ElectronicStructure #Intermetallics ... #IUCr journals.iucr.org/paper?S2053229…
ADDR 50 days' free access: Modulating the Electronic Structure of Graphdiyne-Based Nanomaterials for Engineering Nano-Bio Interfaces in Biomedical Applications. By Chunying Chen, Chinese Academy of Medical Sciences #graphdiyne #ElectronicStructure kwnsfk27.r.eu-west-1.awstrack.me/L0/https:%2F%2…
#PRBTopDownload: #ElectronicStructure of #Bi2Ir2O7 probed by #ResonantInelasticXRayScattering at the oxygen 𝐾 edge P. Olalde-Velasco, Y. Huang, J. Pelliciari, J. Miyawaki et al. Phys. Rev. B 111, 155106 ➡️ go.aps.org/4jfpxkE #OpenAccess #condmat #physics @APSPhysics
PRB Editors' Suggestion: Layer-dependent #spin-resolved #ElectronicStructure of #ferromagnetic triple-layered #ruthenate #Sr4Ru3O10 P. Ngabonziza, J. D. Denlinger et al. Phys. Rev. B 111, 115146 ➡️ go.aps.org/4iNjhR7 #EdSugg @APSPhysics #condmat #physics
PRB Editors' Suggestion: #ElectronicStructure of the #honeycomb #iridate #Cu2IrO3 at #HighPressure G. Fabbris, E. H. T. Poldi, S. Sinha et al. Phys. Rev. B 111, 075153 ➡️ go.aps.org/4iugOen #EdSugg @APSPhysics #condmat #physics @argonne @advancedphoton @taftilab
Today @albaclierta explained the potential use of #QuantumComputing for #electronicstructure calculations @IQTCUB @QuimicaUB @QUANTIC_BSC @BSC_CNS
[Highlight Review] Electrochemical interface | EC-TERS | Electronic structure Review by Dr. Yousoo Kim and Dr. Yasuyuki Yokota @riken_en (RIKEN) is available as Open Access #ElectroChemistry #ElectronicStructure #Spectroscopy journal.csj.jp/doi/abs/10.124…
Carbon dioxide | Polydimethylsiloxane | X-ray emission spectroscopy Article by Prof. Atsushi Takahara @KyushuUniv_EN (Kyushu University) is available as Open Access #CarbonDioxide #ElectronicStructure #Polydimethylsiloxane journal.csj.jp/doi/abs/10.124…
"Introduction to #Graphene-Based #Nanomaterials: From #ElectronicStructure to #QuantumTransport" Self portrait with book & author @StephanSroche ! More on introductiontographene.org cambridge.org/es/academic/su…
Check out the latest research in #ElectronicStructure including “Computational prediction of thermoelectric properties of 2D materials” ow.ly/Tz4V50K754a
Read the latest Focus Issue in #ElectronicStructure centring on Van der Waals Interactions now! ow.ly/UPoL50K77Ey
Dr. Michael Schuurman is talking about his team’s new quantum chemistry methods designed to describe the interaction of light with molecules today at WATOC. ow.ly/OnAi50JOG36 #NRCQuantum #ComputationalChemistry #ElectronicStructure
Electronic Structure of B20 (FeSi-Type) Transition-Metal Monosilicides sci.fo/636 #ElectronicStructure #TopologicalSemimetal @Materials_Mdpi
#PRBTopDownload: #Magnetotransport and #ElectronicStructure of #EuAuSb: A candidate #antiferromagnetic #DiracSemimetal D. Ram, J. Singh, S. Banerjee et al., Phys. Rev. B 109, 155152 – Published 18 April 2024 @APSPhysics #condmat #physics ➡️ go.aps.org/4a5qCXC
Check out SIAM’s latest book, A Mathematical Introduction to Electronic Structure Theory, by Lin Lin and Jianfeng Lu! bookstore.siam.org/sl04/ #electronicstructure #numericalmethods #quantummechanics
#PRBTopDownload: #ElectronicStructure and #magnetic and #transport properties of #antiferromagnetic #WeylSemimetal #GdAlSi A. Laha, A. K. Kundu, N. Aryal et al., Phys. Rev. B 109, 035120 – Published 11 January 2024 @APSPhysics #condmat #physics ➡️ go.aps.org/3SsDpNS
A comprehensive overview of the synthesis and #electronicstructure of #electrondeficient small boron ring compounds is given by Himmel (#UniHeidelberg). doi.wiley.com/10.1002/anie.2…
#PRBTopDownload: #Magnetotransport and #ElectronicStructure of the #axion #insulator #MnSb8Te13 M. Mudgal, D. Dutta, P. Meena, V. Yenugonda, V. Kumar Tiwari et al., Phys. Rev. B 110, 045124 – Published 12 July 2024 @APSPhysics #condmat #physics ➡️ go.aps.org/3LA2Rx0
New #openaccess technical note published in Electronic Structure on electron localisation descriptors in ONETEP, a tool for interpreting localisation and bonding in large-scale DFT calculations (@UoSChemistry @BristolChem) #ElectronicStructure #compchem
PRB Editors' Suggestion: #ElectronicStructure of #𝐴V3Sb5 #KagomeMetals Keyu Zeng, Zhan Wang, Kun Jiang, and Ziqiang Wang Phys. Rev. B 111, 235114 ➡️ go.aps.org/4jA9sG5 #EdSugg @APSPhysics #physics #condmat
Is the Helium atom actually a multi-configurational system? The short answer is, that it depends heavily on the orbitals. erikkjellgren.com/2023/07/23/is_… #compchem #comphys #electronicstructure #computationalchemistry #QuantumChemistry
A combined density functional theory and x-ray photoelectron spectroscopy study of the aromatic amino acids: iopscience.iop.org/article/10.108… thanks to authors from @ucl @ImpMaterials #ElectronicStructure #spectroscopy @JPhysCM
Prof. Yang Lexian from the Department of Physics is the first to reveal the fundamental #electronicstructure characteristics of CsCr3Sb5, particularly the presence of #flatbands and strong #electroncorrelation effects. #InnovativeTsinghua More: bit.ly/3R4euyX
PRB Editors' Suggestion: Probing the #ElectronicStructure at the boundary of #TopologicalInsulators in the #Bi2Se3 family by combined #ScanningTunneling and #AtomicForceMicroscopy C. S. Setescak et al. PRB 111, 165305 ➡️ go.aps.org/44KDEdM #EdSugg @APSPhysics #physics
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