Institute for Advanced Materials Research Press Institute for Advanced Materials Research Press
Home About Policies Contact
Login Register
Journal of Computational and Data-Driven Materials Engineering
ISSN: 3149-9368
Submit your manuscript Review for us
Archive Search Contact
Aims and scope Policies Editorial board Indexing
For authors
|
Current issue All issues

Vol 2, Issue 1 (2023)

Algorithmic Novelty vs Chemical Novelty: Rethinking Innovation Metrics
Lucas Andrade & Mariana Lopes
Original Research | Open access | 18 March 2023 | Article: 94
Benchmarking Without Reality: Dataset Construction Bias in Materials Evaluation
Wei Liu & Zhang Min
Original Research | Open access | 18 March 2023 | Article: 95
Compositional Space Is Not Uniform: Density Gradients in Data-Driven Screening
Oliver Grant, Daniel Brooks & Amelia Carter
Original Research | Open access | 18 March 2023 | Article: 96
Cross-Property Entanglement in Multi-Task Materials Learning Systems
Daniel Fischer, Laura Meier, Thomas Braun & Stefan Koch
Original Research | Open access | 18 March 2023 | Article: 97
Discovery Pipelines as Epistemic Filters: What Computational Workflows Exclude
Hiroshi Tanaka, Yuki Sato & Kenji Mori
Original Research | Open access | 18 March 2023 | Article: 98
Feature Engineering as Scientific Framing: Encoding Choices in Materials Informatics
Maria Hernandez & Carlos Vega
Original Research | Open access | 18 March 2023 | Article: 99
Multimodal, Physics-Informed Machine Learning for Accelerated Materials Design and Discovery
Lucas Meyer, Stefan Braun, Anna Schmid & David Keller
Original Research | Open access | 18 March 2023 | Article: 100
When Graph Convolutions Over-Smooth on Large Unit Cells: Failure Mode Analysis of Deep GNNs for Thermal Transport
Fatima Zahra Amrani & Youssef Benali
Original Research | Open access | 18 January 2023 | Article: 11
Redefining “Out-of-Distribution” for Crystalline Materials Graphs: A Boundary for Domain Shift Detection
Bruno Martins, Lucas Pereira, Renata Azevedo & Pedro Costa
Original Research | Open access | 18 January 2023 | Article: 12
How Equivariance Reduces Sample Complexity in Materials GNNs: A Theoretical Bound
Hiroshi Nakamura & Yuta Kato
Original Research | Open access | 18 January 2023 | Article: 13
Graph Neural Networks for Periodic Crystals: A Systematic Review of Representational Trade-Offs and Hidden Assumptions
Maria Gonzalez, Javier Ruiz, Lucia Torres & Elena Ruiz
Review | Open access | 18 January 2023 | Article: 14
Separating What We Know from What We Guess: A Modular Framework for Epistemic vs. Aleatoric Uncertainty in ML Potentials
Ahmed El-Kholy, Nour Abdelrahman & Karim Hassan
Original Research | Open access | 18 January 2023 | Article: 15
Why Equivariant Networks Fail for Magnetic Ordering: Broken Symmetries and Hidden Degeneracies
Claire Dupont & Julien Martin
Original Research | Open access | 18 January 2023 | Article: 16
Operationalizing "Material Similarity" for Domain Adaptation: A Definitional Boundary for Composition-Transfer Learning
Sanjay Kulkarni, Meenal Joshi, Rohan Patil & Aniket Deshmukh
Original Research | Open access | 18 January 2023 | Article: 17
Ready to submit?
Start a new submission or continue a submission in progress:
Submission Portal Author Guidelines
Follow this journal
Get notified of new updates and articles.