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I. Castelli

26 papers hereh-index 3512.1k citations164 works total

Matching runs newest-first, so older work may not be attached to this profile yet.

author position
  • first author6
  • middle author16
  • last author3

Across the 25 of 26 papers where every author was matched, so the position is known.

fields
  • cond-mat.mtrl-sci18
  • cond-mat.mes-hall3
  • physics.app-ph2
  • physics.chem-ph2
  • cs.DB1
same name
  • I. Castelli — 2 papers, h 1

Either other researchers who publish under this name, or the same person where the external sources have not merged their records.

identity via Semantic Scholar / OpenAlex

activity
20082026
most citedTwo-dimensional materials from high-throughput computational exfoliation of experimentally known compounds

1.9k citations · 3.3k across the 23 of their papers we have counts for

collaborators
Showing 2025Show all

3 papers · 1 filter

cs.DB2025

Implementing a Scalable, Redeployable and Multitiered Repository for FAIR and Secure Scientific Data Sharing: The BIG-MAP Archive

Valeria Granata, Francois Liot, Xing Wang +5

Data sharing in large consortia, such as research collaborations or industry partnerships, requires addressing both organizational and technical challenges. A common platform is es…

cond-mat.mtrl-sci2025★ 9 cited

Predicting aqueous and electrochemical stability of 2D materials from extended Pourbaix analyses

Stefano Americo, Ivano E. Castelli, Kristian S. Thygesen

A key challenge for computational discovery of electrocatalytic materials is the reliable prediction of thermodynamic stability in aqueous environment and under different electroch…

cond-mat.mtrl-sci2025★ 1 cited

Atomic-scale observation of d-π-d spin coupling in coordination structures

Xue Zhang, Xin Li, Jie Li +17

Spin coupling between magnetic metal atoms and organic radicals plays a pivotal role in high-performance magnetic materials. The complex interaction involving multi-spin centers in…

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Not affiliated with arXiv. Researcher data from Semantic Scholar (ODC-BY) and OpenAlex.