A Gaussian process coarse-grained potential for Na-montmorillonite
Yalda Pedram, Yaoting Zhang, Laurent Brochard et al.
Materials Science papers
cond-mat.mtrl-sciBrowse archive
First-principles theory of phonon renormalization from nonlinear electron-phonon interactions
Florian Kluibenschedl, Matthew Houtput, Jacques Tempere et al.Spin-Lattice Dynamics and Interactions in Magnonic Spinels
Hari Paudyal, Yuri Suzuki, Michael E. Flatté et al.Magnon-Phonon Dynamics in Multidimensional Antiferromagnetic Oxides
Yogendra Limbu, Michael E. Flatté, Durga PaudyalStrain-Induced Metal-to-Insulator Transition in Antiferromagnetic SrCrO3 Thin Films
S. Jöhr, A. Carta, J. Moreno et al.Tuning the Coercive Field in Ferroelectric Hf0.5Zr0.5O2-Al2O3 Heterostructures via Interfacial Charge Dynamics
Marshall B. Frye, Chanyoung Kim, Jeong-Woo Sun et al.Ultralow-Tensile Strain Enables Exciton Funneling and Energy Transfer to Boost MoSe2 Photoluminescence Quantum Yield
Gayatri, Mehdi Arfaoui, Debashish Das et al.A Computational Method to Simulate Electrostatic Actuation in Polycatenated Architected Materials
Mateus Maciel Vivaldi, Alexandre F. FonsecaDivergent Solid-state Conversion Pathways in Evaporated All-perovskite Tandem Solar Cells
Huagui Lai, Amber Wright, Nick Huber et al.Coherent antiferromagnetic resonance in MnO driven by impulsive terahertz excitation
Yinchuan Lv, Martin J. Cross, Hari Paudyal et al.Modeling Dynamic Magnetic Response of Spinel Soft Ferrites with the Steepest-Entropy-Ascent Quantum Thermodynamics Formalism
Deepak Dhariwal, William T. Reynolds, Michael R. von SpakovskyAnharmonic Phonon Renormalization and Defect Tolerance of the Thermoelectric Power Factor in Monolayer SnSe
Nguyen Tran Gia Bao, Thang Bach Phan, Vu Thi Hanh Thu et al.Machine Learning for High-Entropy Catalysts: Methods and Applications
Hao Chen, Zongrui Pei, Xianglin LiuOrbital fingerprinting of magnetism across the Mn-Ni-Ga Heusler ternary
Felipe Hawthorne, Daniela A. Damasceno, Raphael M. Tromer et al.The Roadmap of Inorganic Computational Materials Databases: Capabilities, Credibility, Coverage, and the Open Frontier
Miao Liu, Jianghao Jin, Tenglong Lu et al.Grain Boundary Distortion Reorients the Local 4f Easy Axis and Splits Light from Heavy Lanthanides in Nd2Fe14B
Avik Mahataa, M. ZakotnikHydrogen Reorganization in Hot Dense Ammonia
Yu Tao, Jingyi Liu, Li LeiPortfolio-Based Constrained Multi-Objective Bayesian Optimization for Materials Design
Sushant Sinha, Christofer Hardcastle, Robert Robinson et al.ALIGNN 2.0: A Unified Line-Graph Neural Network Framework for Materials Screening, Force Fields, Inverse Design, Spectroscopy, and Microscopy
Jaehyung Lee, Charles Rhys Campbell, Akshaya Ajith et al.The Origin of the Observed Raman Peaks in α-MnTe
Nurul Azam, Syed Mohammad Shahed, Liam T. Schmidt et al.Pressure-dependent melting and crystallization of B2-NiAl from neural-network molecular dynamics
A. S. Onegin, P. R. Levashov, N. M. ChtchelkatchevElectron g-value comparison of paramagnetic muonium and hydrogen centers in rutile TiO2
T. U. Ito, W. Higemoto, A. KodaMelting of corundum (α-Al2O3) under compression to 8 GPa: A decreasing melting slope
Vladimir L. SolozhenkoDivergence between long- and short-wavelength magnon damping in spinel ferrites
Christopher T. Parzyck, Octave Duros, Hari Paudyal et al.An Atlas and Design Rules for Single- and Dual-Atom Alloys
Fabian Berger, Yicheng Wang, E. Charles H. Sykes et al.