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Record W4399207709 · doi:10.1016/j.future.2024.04.060

Quantum-centric supercomputing for materials science: A perspective on challenges and future directions

2024· article· en· W4399207709 on OpenAlexafffund
Yuri Alexeev, Maximilian Amsler, Marco Antonio Barroca, Sanzio Bassini, Torey Battelle, Daan Camps, David Casanova, Young Jay Choi, Frederic T. Chong, Charles Chung, C.F. Codella, Antonio Córcoles, James Cruise, Alberto Di Meglio, I. Ďuran, Thomas Eckl, Sophia E. Economou, Stephan Eidenbenz, Bruce G. Elmegreen, Clyde Fare, Ismael Faro, Cristina Sanz Fernández, Rodrigo Neumann Barros Ferreira, Keisuke Fuji, Bryce Fuller, Laura Gagliardi, Giulia Galli, Jennifer R. Glick, Isacco Gobbi, Pranav Gokhale, Salvador de la Puente González, Johannes Greiner, Michele Grossi, Emanuel Gull, Burns Healy, Matthew R. Hermes, Benchen Huang, Travis S. Humble, Nobuyasu Ito, Artur F. Izmaylov, Ali Javadi-Abhari, Douglas M. Jennewein, Shantenu Jha, Liang Jiang, Barbara Jones, Wibe A. de Jong, Petar Jurcevic, William Kirby, Stefan Kister, Masahiro Kitagawa, Joel Klassen, Katherine Klymko, Kwangwon Koh, Masaaki Kondo, Dog̃a Murat Kürkçüog̃lu, Krzysztof Kurowski, Teodoro Laino, Ryan Landfield, Matt Leininger, Vicente Leyton‐Ortega, Ang Li, Meifeng Lin, Junyu Liu, Nicolás Lorente, André Luckow, Simon Martiel, Francisco Martín-Fernández, Margaret Martonosi, Claire Marvinney, Arcesio Castañeda Medina, Dirk Merten, Antonio Mezzacapo, Kristel Michielsen, Abhishek Mitra, Tushar Mittal, Kyungsun Moon, Joel E. Moore, Sarah Mostame, Mário Motta, Young-Hye Na, Yunseong Nam, Prineha Narang, Yu‐ya Ohnishi, Matthew Otten, Scott Pakin, V. R. Pascuzzi, Edwin Pednault, Tomasz Piontek, Jed W. Pitera, Patrick Rall, Gokul Subramanian Ravi, Niall Robertson, Matteo A. C. Rossi, Piotr Rydlichowski, Hoon Ryu, Mitsuhisa Sato, Nishant Saurabh, Vidushi Sharma, Kunal Sharma, Soyoung Shin, George Slessman, M. Steiner, Iskandar Sitdikov, In‐Saeng Suh, Eric D. Switzer, Wei Tang, Joel K. Thompson, Synge Todo, Minh C. Tran, Dimitar Trenev, Christian Robert Trott, H. Eric Tseng, Norm M. Tubman, Esin Türeci, David García Valiñas, S. Vallecorsa, Christopher Wever, Konrad Wojciechowski, Xiaodi Wu, Shinjae Yoo, Nobuyuki Yoshioka, Victor Wen-zhe Yu, Seiji Yunoki, Sergiy Zhuk, Dmitry Yu. Zubarev

Bibliographic record

VenueFuture Generation Computer Systems · 2024
Typearticle
Languageen
FieldMaterials Science
TopicElectronic and Structural Properties of Oxides
Canadian institutionsThe Scarborough HospitalUniversity of Toronto
FundersArgonne National LaboratoryOffice of ScienceNatural Sciences and Engineering Research Council of CanadaEuropean CommissionOak Ridge National LaboratoryCERNDiputación Foral de GipuzkoaU.S. Department of EnergyEusko JaurlaritzaNational Science Foundation
KeywordsSupercomputerComputer scienceQuantum computerPerspective (graphical)Computational scienceData scienceIdentification (biology)QuantumDistributed computingComputer engineeringParallel computingArtificial intelligence

Abstract

fetched live from OpenAlex
No abstract in any covered source. Its absence is recorded, not treated as a negative.

No abstract. This is not a gap in this database; OpenAlex has none either. 23.3% of the frame is in this state, and the screen finds HALF as much metaresearch here, so the absence is a measured bias rather than a missing field.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.010
metaresearch head score (Gemma)0.006
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: none
GenreCandidate signal: Commentary · Consensus signal: none
Teacher disagreement score0.019
Threshold uncertainty score0.065

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0100.006
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0020.001
Bibliometrics0.0010.003
Science and technology studies0.0020.008
Scholarly communication0.0080.018
Open science0.0040.004
Research integrity0.0070.005
Insufficient payload (model declined to judge)0.0190.002

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.026
GPT teacher head0.263
Teacher spread0.237 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designNot applicable
Domainnot available
GenreCommentary

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations76
Published2024
Admission routes2
Has abstractno

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