MatCreatioNN: Machine learning-guided computational discovery of photocatalysts for environmental applications
Satya Kokonda
Materials Science papers — page 47
cond-mat.mtrl-sciBrowse archive
Materials Behavior as Mechanism Ensembles: A Probabilistic Framework for Emergent Behaviors
Brad L. Boyce, Mitchell A. Wood, Krishna Garikipati et al.Formation of L12-ordered γ'-Ni3Al precipitates in ternary Cu-Ni-Al alloys modelled using an ab initio concentration wave theory and atomistic simulations
Christopher D. Woodgate, Hubert J. Naguszewski, Samuel L. Deacon et al.No band gap, no problem: Defects in InAs using a band-avoiding occupation-constrained density functional theory
Peter A. Schultz, Arthur H. Edwards, Evan M. Anderson et al.Generation of representative powder particle packing in 2D/3D: which tool for which application?
Antoine Tainturier, Louis Lemarquis, Victor Szczepan et al.Ferroelectric switchable altermagnetic-like compensated ferrimagnets with charge ordering
Xinyu Yang, Shuai DongStructure-Property Correlation of Cr/Cu-MnFeCoNi High-Entropy Alloys for Alkaline Water Electrolysis
Shreyasi Chattopadhyaya, Raphael B. de Oliveira, Deepti Gangwar et al.Crystal forming ability of amorphous refractory metals under nanoindentation: a molecular dynamics study
Prashant Dwivedi, Alberto Fraile, Tomas PolcarMagnetic hopfions at room temperature
Kaixin Zhu, Wenli Gao, Zhan Wang et al.Inferring Magnetic Material Parameters from Statistical Measures in Strongly Fluctuating Magnetization Dynamics
Kübra Kalkan, Atreya Majumdar, Ross Knapman et al.End-to-End Modeling of a Volatile TiO2 Memristor for Neuromorphic Circuit Simulation
Lukas Endres, Hannes Töpfer, Michaela Blum et al.Computational Study of Water Adsorption and Dissociative Mechanisms Impacting g-C3N4's Optical and Electronic Properties
Amil Aligayev, Ulkar Jabbarli, F. Javier Domınguez-Gutierrez et al.Transient Detour and Cooperative Oxygen Exchange in the Polarization Switching of Ferroelectric Hf0.5Zr0.5O2
Ryotaro Sahashi, Po-Yen Chen, Teruyasu MizoguchiPercolating Multifractal Domains at a Polymorphic Phase Boundary
Yuan-Jinsheng Liu, Xu Tian, Jiahui Zhai et al.Nanoscale Imaging of Strain-Controlled Altermagnetic Domains in α-MnTe
Alex L. Melendez, Sijie Xu, Liangbo Liang et al.PUDA: An AI-Native Hardware Harness for Self-Driving Laboratories
Zekun Ren, Hongzhao Tan, Jiaen Yee et al.Physics-informed Machine Learning Prediction of Hubbard Interaction Parameters
Jiyeon Kim, Indukuru Ramesh Reddy, Bongjae Kim et al.Substrate-metal interface engineering enhances TaN/Ta thin film superconducting resonator performance
Moritz Singer, Harsh Gupta, Benedikt Schoof et al.Effect of Al-Zn alloy wafer grain boundary diffusion on the magnetism and microstructure of sintered NdFeB magnets
Xi Liu, Wenxi Fang, Ken PerlinComputing binary alloy phase diagrams with explicit configurational and vibrational entropy
Sarath Menon, Marvin Poul, Tilmann Hickel et al.Inverse design of bespoke interatomic potentials via active learning by information-matching
Yonatan Kurniawan, Logan D. Williams, Amit Samanta et al.Disordered vs. Short-Range-Ordered Complexions: Consequences for Grain-Boundary-Mediated Plasticity in Nanocrystalline Al-Ni Alloys
Frederic Sansoz, Eve-Audrey PicardIn situ estimation of local acoustic pressure amplitude by force balancing with a ferrofluid droplet probe
Seiya Usui, Yoshiaki Uchida, Akira Nagakubo et al.The hidden ferroelectric chiral ground state of silver niobate
Safari Amisi, Fernando Gómez-Ortiz, Eric Bousquet et al.Unified ab initio quantum-electrodynamical density-functional theory for cavity-modified electron-phonon-photon coupling in solids
Benshu Fan, I-Te Lu, Michael Ruggenthaler et al.