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Computational Condensed Matter cover

Computational Condensed Matter

IF3.9
Papers492
Citations2092
Journal Papers 477
Publication Date
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Rare-Earth-Doped Phosphorene for Infrared Optoelectronic, Spintronic, and Thermoelectric Applications
deleteComputational Condensed Matter
IF3.9
delete2026-10-06
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PREAI
deleteKiran Riaz; Han Zhang; Haq Inzamam ul; Ishfaq Ahmed; Muhammad Naeem Tabassam; Taojian Fan
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Atomistic insights into crystallization water in K-struvite: relevance to magnesium potassium phosphate cement
deleteComputational Condensed Matter
IF3.9
delete2026-10-01
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PREAI
deleteAnton Kasprzhitskii; Alexander Kruglikov; Georgy Lazorenko
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Relativistic effects on the mechanical, electronic, and superconducting behavior of actinide binaries Th2X (X = Cu, Ag, Au)
deleteComputational Condensed Matter
IF3.9
delete2026-10-01
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PREAI
deleteH. Sichula; S. Baǧcı; H.Y. Uzunok; Sena Nur Çetin; H.M. Tütüncü
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First-principles study of the structural, electronic, and optical properties of Na3In2P3 and Na3Ga2P3 phosphidotrielate semiconductors
deleteComputational Condensed Matter
IF3.9
delete2026-09-30
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PREAI
deleteMuhammad Ikram; Fatima Rahman; Hafsa Gul; Muhammad Bashir; Asad Zaman; Ata Ur Rahman
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Electronic and magnetic transitions in Fe-doped ScN: From bipolar magnetic semiconductor to half-metallic ferromagnet via C/O co-doping
deleteComputational Condensed Matter
IF3.9
delete2026-09-30
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PREAI
deleteR. Rami; H. Khayati; K. Sina; L.B. Drissi; R. Ahl Laamara
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Ferroelectric control of altermagnetism and anomalous Hall transport in multiferroic MnSnO3
deleteComputational Condensed Matter
IF3.9
delete2026-09-30
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PREAI
deleteArshad Khan; Naveed Ullah; Fazle Subhan; Hasan B. Albargi; Jawed Mustafa; Muhammad Nasir Bashir
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Effect of Mg doping on electrochemical properties of AMO2 (with A=Li/Na and M= Mn/Fe//Ni) type electrode materials - a density functional theory study
deleteComputational Condensed Matter
IF3.9
delete2026-09-29
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PREAI
deleteShamik Chakrabarti; A.K. Thakur
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Diamond-like quaternary chalcogenides A2VAgS4 (A = K, Rb, Cs) as earth-abundant candidates for near-room-temperature thermoelectric waste-heat recovery: a first-principles study
deleteComputational Condensed Matter
IF3.9
delete2026-09-29
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PREAI
deleteSaadi Berri; Ayache Mebarek Azzem; Çağatay Yamçıçıer; Sabah Chami
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Predictions of mechanical, dynamical, and thermodynamic properties of novel Zintl-phase compounds SrAg2X2 (X = S, Se, and Te)
deleteComputational Condensed Matter
IF3.9
delete2026-09-29
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PREAI
deleteWu, H. y.; Chen, Y. h.
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First-principles insights into optoelectronic and photocatalytic properties of phosphorus-doped h-BN monolayer
deleteComputational Condensed Matter
IF3.9
delete2026-09-28
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PREAI
deleteVipin Bhumbla; Ramandeep Singh; Ashok Kumar; Neena Jaggi
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Ultrahigh electromechanical coupling in Sc-doped κ-Ga2O3 for next-generation bulk acoustic wave resonators: A first-principles and device-level study
deleteComputational Condensed Matter
IF3.9
delete2026-09-26
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PREAI
deleteHaihang Xu; Yulin Zhuang; Lirong Qian; Baozeng Zhou
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Anharmonic phonon interactions and phase stability in fluoride double perovskite K2NaGaF6
deleteComputational Condensed Matter
IF3.9
delete2026-09-25
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PREAI
deleteRiad Shaltaf; Hazem Abu-Farsakh; Iyad I. Al-Qasir; Abdallah Qteish
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Electronic structure and stability of La-, Ce-, Nd-, and Sc-doped Al(111)/Al2Cu(110) interfaces: A first-principles study
deleteComputational Condensed Matter
IF3.9
delete2026-09-25
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PREAI
deleteRan Lu; He Wei; Qitao Lv; Zulai Li
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First-principles investigation of the structural, electronic, and optical properties of the InCu(PSe3)2 monolayer
deleteComputational Condensed Matter
IF3.9
delete2026-09-23
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PREAI
deleteShehroz Abdullah; Ahsan Javed; Muhammad Asif; Zahid Khan; Asif Nawaz Khan; Mubashir Gulzar; Anila Asif
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Interatomic-potential-derived hybrid power–exponential EOS for MgO at extreme compression
deleteComputational Condensed Matter
IF3.9
delete2026-09-23
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PREAI
deleteShefali Kanwar; S. Gaurav; S. Shankar
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Effect of vacancies on hydrogen mobility and trapping in bcc Fe and Cr: A DFT and kMC study
deleteComputational Condensed Matter
IF3.9
delete2026-09-23
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PREAI
deleteVallinathan K; Gurpreet Kaur; Sharat Chandra
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Comprehensive buckling analysis and machine-learning-assisted property prediction of TODD-graphene nanosheets: A molecular dynamics investigation
deleteComputational Condensed Matter
IF3.9
delete2026-09-23
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PREAI
deleteMohsen Taghizadeh; Jingyi Wang
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Novel quasi-1D lead halide perovskites A2PbX4 with heteroaromatic cations A=C3NHetH4 (Het = NH, O, S, Se): DFT study of structural and optoelectronic properties
deleteComputational Condensed Matter
IF3.9
delete2026-09-23
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PREAI
deleteR. Kevorkyants; D.S. Shtarev
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Rb2AgMCl6 (M = Al, Sc) double perovskites for advanced optoelectronic and thermoelectric device applications: A first-principles study
deleteComputational Condensed Matter
IF3.9
delete2026-09-21
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PREAI
deleteAttaur Rahman; Muhammad Haneef; Abdur Razzaq; Tahani A. Alrebdi; Bin Amin
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Comment on the acoustic, Debye-temperature and lattice-thermal-conductivity calculations of K2NbTaO6 and Rb2NbTaO6
deleteComputational Condensed Matter
IF3.9
delete2026-09-20
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PREAI
deleteDheerendra Singh Yadav
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