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Materials Horizons|November 24, 2023
PAL 2.0: a physics-driven bayesian optimization framework for material discoveryMaitreyee Sharma Priyadarshini, Oluwaseun Romiluyi, Yiran Wang, et al.Nature Communications|March 18, 2025
Rational design of optimal bimetallic and trimetallic nickel-based single-atom alloys for bio-oil upgrading to hydrogenSeba AlAreeqi, Connor Ganley, Daniel Bahamon, et al.Langmuir : the ACS Journal of Surfaces and Colloids|March 4, 2016
Multiscale Simulation and Modeling of Multilayer Heteroepitactic Growth of C60 on PentaceneYaset M Acevedo, Rebecca A Cantrell, Philip G Berard, et al.The Journal of Physical Chemistry. B|April 27, 2026
Uncovering the Subtleties of Solvation and Speciation of Organic Halide Salts in Organic SolventsEmily Hiralal, Farhan Shaikh, Ivan Keresztes, et al.ACS Nano|February 25, 2011
Shape-anisotropy driven symmetry transformations in nanocrystal superlattice polymorphsKaifu Bian, Joshua J Choi, Ananth Kaushik, et al.Organic & Biomolecular Chemistry|August 8, 2020
Decomplexation as a rate limitation in the thiol-Michael addition of N-acrylamidesJoseph S Brown, Andrew W Ruttinger, Akash J Vaidya, et al.Langmuir : the ACS Journal of Surfaces and Colloids|September 17, 2017
Ab Initio Studies of the Diffusion of Intrinsic Defects and Silicon Dopants in Bulk InAsMardochee Reveil, Hsien-Lien Huang, Huang-Ta Chen, et al.The Review of Scientific Instruments|October 2, 2017
Finite element and analytical solutions for van der Pauw and four-point probe correction factors when multiple non-ideal measurement conditions coexistMardochee Reveil, Victoria C Sorg, Emily R Cheng, et al.Physical Chemistry Chemical Physics : PCCP|July 7, 2025
Low-energy pathways lead to self-healing defects in CsPbBr3Kumar Miskin, Yi Cao, Madaline Marland, et al.Scientific Reports|August 2, 2024
Real-time tracking of structural evolution in 2D MXenes using theory-enhanced machine learningJonathan D Hollenbach, Cassandra M Pate, Haili Jia, et al.Pageof 6