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20022026
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations

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cond-mat.mtrl-sci2026

Inverse design of bespoke interatomic potentials via active learning by information-matching

Yonatan Kurniawan, Logan D. Williams, Amit Samanta +6

Interatomic potentials (IPs) enable large-scale atomistic simulations beyond the reach of first-principles methods, but their predictive reliability depends critically on the selec…

cond-mat.mtrl-sci2026

Chirality Transfer to the Magnetic Sublattice in the Hybrid Perovskite (R)-/(S)-3-Fluoropyrrolidinium Copper(II) Chloride

Zheng Zhang, Mingyu Xu, Jose L. Gonzalez Jimenez +4

Incorporating chiral organic cations into organic-inorganic hybrid materials has been shown to enable the inorganic sublattice to display chiroptical properties. We report a new tw…

cond-mat.mtrl-sci2025★ 4 cited

Observation of mirror-odd and mirror-even spin texture in ultrathin epitaxially strained RuO2 films

Yichen Zhang, Seung Gyo Jeong, Luca Buiarelli +24

Recently, rutile ruthenium dioxide (RuO) has attracted renewed interest due to expectations of prominent altermagnetic spin splitting. However, accumulating experimental eviden…

cond-mat.mtrl-sci2025★ 1 cited

Scalable Etch-Free Transfer of Low-Dimensional Materials from Metal Films to Diverse Substrates

Kentaro Yumigeta, Muhammed Yusufoglu, Mamun Sarker +12

Low-dimensional materials hold great promises for exploring emergent physical phenomena, nanoelectronics, and quantum technologies. Their synthesis often depends on catalytic metal…

cond-mat.mtrl-sci2025★ 5 cited

Origins of chalcogenide perovskite instability

Adelina Carr, Talia Glinberg, Nathan Stull +2

Chalcogenide perovskites, particularly II-IV ABS3 compounds, are a promising class of materials for optoelectronic applications. However, these materials frequently exhibit instabi…

cond-mat.mtrl-sci2025★ 10 cited

Altermagnetic band splitting in 10 nm epitaxial CrSb thin films

Sandra Santhosh, Paul Corbae, Wilson J. Yanez-Parreno +14

Altermagnets are a newly identified family of collinear antiferromagnets with momentum-dependent spin-split band structure of non-relativistic origin, derived from spin-group symme…