42 citations · 61 across the 4 of their papers we have counts for
5 papers
The Mechanics of Delta Learning: Target Design for Generalizable Scientific Machine Learning
Kareem M. Gameel, Ihor Neporozhnii, Sjoerd Hoogland +1
In scientific machine learning, -learning trains models on residual errors relative to physical baselines, assuming that more accurate baselines with smaller residual scales inh…
Multitask learning with semiempirical orbital charges enables sample-efficient MLIPs
Ihor Neporozhnii, Sjoerd Hoogland, Oleksandr Voznyy
Machine learning interatomic potentials (MLIPs) require generating computationally expensive, large-scale training datasets to accurately simulate materials and molecules. Incorpor…
High-magnitude, spatially and directionally programmable, and sustained strain engineering of 2D semiconductors
Boran Kumral, Pedro G. Demingos, Pedro Guerra Demingos +17
Crystalline two-dimensional (2D) semiconductors often combine high elasticity and in-plane strength, making them ideal for strain-induced tuning of electronic characteristics, akin…
Open Catalyst Experiments 2024 (OCx24): Bridging Experiments and Computational Models
Jehad Abed, Jiheon Kim, Muhammed Shuaibi +17
The search for low-cost, durable, and effective catalysts is essential for green hydrogen production and carbon dioxide upcycling to help in the mitigation of climate change. Disco…
Effect of disorder on transport properties in a tight-binding model for lead halide perovskites
S. Ashhab, O. Voznyy, S. Hoogland +2
The hybrid organic-inorganic lead halide perovskite materials have emerged as remarkable materials for photovoltaic applications. Their strengths include good electric transport pr…