Na minha lista:
| Main Authors: | Zhu, Sheng-cai, Yan, Xiao-zhi, Liu, Jin, Oganov, Artem R., Zhu, Qiang |
|---|---|
| Formato: | Preprint |
| Publicado em: |
2020
|
| Assuntos: | |
| Acesso em linha: | https://arxiv.org/abs/2003.06110 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|
Registos relacionados
Combining Machine Learning Models with First-Principles High-Throughput Calculation to Accelerate the Search of Promising Thermoelectric Materials
Por: Fan, Tao, et al.
Publicado em: (2024)
Por: Fan, Tao, et al.
Publicado em: (2024)
Optimizing Supercell Structures for Heisenberg Exchange Interaction Calculations
Por: Alaei, Mojtaba, et al.
Publicado em: (2024)
Por: Alaei, Mojtaba, et al.
Publicado em: (2024)
SSCHA-based evolutionary crystal structure prediction at finite temperatures with account for quantum nuclear motion
Por: Poletaev, Daniil, et al.
Publicado em: (2025)
Por: Poletaev, Daniil, et al.
Publicado em: (2025)
mDCThermalC: A program for calculating thermal conductivity quickly and accurately
Por: Fan, Tao, et al.
Publicado em: (2019)
Por: Fan, Tao, et al.
Publicado em: (2019)
Acceleration of crystal structure relaxation with Deep Reinforcement Learning
Por: Trukhan, Elena, et al.
Publicado em: (2025)
Por: Trukhan, Elena, et al.
Publicado em: (2025)
Predicting the Curie Temperature of Magnetic Materials with Machine Learning: Descriptor Engineering, Graph Neural Networks, and the Role of Curated Data
Por: Orang, Akram Abedi, et al.
Publicado em: (2025)
Por: Orang, Akram Abedi, et al.
Publicado em: (2025)
Graph Neural Network Prediction of Nonlinear Optical Properties
Por: Alkabakibi, Yomn, et al.
Publicado em: (2025)
Por: Alkabakibi, Yomn, et al.
Publicado em: (2025)
Evaluating SCAN and r$^2$SCAN meta-GGA functionals for predicting transition temperatures in antiferromagnetic materials
Por: Rezaei, Nafise, et al.
Publicado em: (2025)
Por: Rezaei, Nafise, et al.
Publicado em: (2025)
Experimental Exchange Interaction Dataset for Magnetic Materials: Spin Waves to MC Simulations
Por: Alaei, Mojtaba, et al.
Publicado em: (2025)
Por: Alaei, Mojtaba, et al.
Publicado em: (2025)
Complex Magnetic Behavior in RuO$_2$ Thin Films Driven by Strain and Substrate Effects
Por: Alaei, Mojtaba, et al.
Publicado em: (2026)
Por: Alaei, Mojtaba, et al.
Publicado em: (2026)
Benchmarking First-Principles Approaches for Extracting Magnetic Exchange Interactions
Por: Rezaei, Nafise, et al.
Publicado em: (2025)
Por: Rezaei, Nafise, et al.
Publicado em: (2025)
Novel Strontium Carbides Under Compression
Por: Rybin, Nikita, et al.
Publicado em: (2025)
Por: Rybin, Nikita, et al.
Publicado em: (2025)
Origin of $A$-type antiferromagnetism and chiral split magnons in altermagnetic $α$-MnTe
Por: Alaei, Mojtaba, et al.
Publicado em: (2024)
Por: Alaei, Mojtaba, et al.
Publicado em: (2024)
Metastability and Ostwald Step Rule in the Crystallisation of Diamond and Graphite from Molten Carbon
Por: Donadio, Davide, et al.
Publicado em: (2025)
Por: Donadio, Davide, et al.
Publicado em: (2025)
Effect of Crystallographic Orientation on the Potential Barrier and Conductivity of Bessel Written Graphitic Electrodes in Diamond
Por: Kuriakose, Akhil, et al.
Publicado em: (2024)
Por: Kuriakose, Akhil, et al.
Publicado em: (2024)
Towards superior van der Waals density functionals for molecular crystals
Por: Fedorov, Dmitry V., et al.
Publicado em: (2025)
Por: Fedorov, Dmitry V., et al.
Publicado em: (2025)
Shotgun crystal structure prediction using machine-learned formation energies
Por: Liu, Chang, et al.
Publicado em: (2023)
Por: Liu, Chang, et al.
Publicado em: (2023)
High-pressure phase stability and superconductivity in La-Zr-H hydrides
Por: shahid, Ijaz, et al.
Publicado em: (2026)
Por: shahid, Ijaz, et al.
Publicado em: (2026)
Substrate-aware computational design of two-dimensional materials
Por: Mazitov, Arslan, et al.
Publicado em: (2024)
Por: Mazitov, Arslan, et al.
Publicado em: (2024)
Atomistic Modeling of Martensitic Phase Transition in Hexamethylbenzene
Por: Fahim, Zarif, et al.
Publicado em: (2025)
Por: Fahim, Zarif, et al.
Publicado em: (2025)
Ethane and methane at high pressures: structure and stability
Por: Stavrou, Elissaios, et al.
Publicado em: (2021)
Por: Stavrou, Elissaios, et al.
Publicado em: (2021)
Revisiting the Mechanisms of Thermal Transport in Vacancy-Defective Silicon
Por: Zhu, Xueyan, et al.
Publicado em: (2025)
Por: Zhu, Xueyan, et al.
Publicado em: (2025)
Commensurate-Incommensurate Transition in Submonolayer $^3$He on Graphite
Por: Kumashita, A., et al.
Publicado em: (2026)
Por: Kumashita, A., et al.
Publicado em: (2026)
Orbital Order Triggered Out-of-Plane Ferroelectricity in Magnetic Transition Metal di-halide Monolayers
Por: Luo, Xiao-Feng, et al.
Publicado em: (2025)
Por: Luo, Xiao-Feng, et al.
Publicado em: (2025)
Ultrafast Laser Induces Macroscopic Symmetry-Breaking of Diamond Color Centers
Por: Gao, Yang, et al.
Publicado em: (2025)
Por: Gao, Yang, et al.
Publicado em: (2025)
Tell Me a Story.
Por: Rockman, Connie
Publicado em: (2001)
Por: Rockman, Connie
Publicado em: (2001)
Raisins in a Hydrogen Pie: Ultrastable Cesium and Rubidium Polyhydrides
Por: Zhou, Di, et al.
Publicado em: (2024)
Por: Zhou, Di, et al.
Publicado em: (2024)
Experimental Demonstration and Transformation Mechanism of Quenchable Two-dimensional Diamond
Por: Li, Jiayin, et al.
Publicado em: (2025)
Por: Li, Jiayin, et al.
Publicado em: (2025)
Study of Entropy-Driven Polymorphic Stability for Aspirin Using Accurate Neural Network Interatomic Potential
Por: Hattori, Shinnosuke, et al.
Publicado em: (2024)
Por: Hattori, Shinnosuke, et al.
Publicado em: (2024)
Direct Deoxygenation of Phenol over Fe-based Bimetallic Surfaces using On-the-fly Surrogate Models
Por: Onyango, Isaac, et al.
Publicado em: (2025)
Por: Onyango, Isaac, et al.
Publicado em: (2025)
First-principles Investigation of Electrides Derived from Sodalites
Por: Kang, Byungkyun, et al.
Publicado em: (2023)
Por: Kang, Byungkyun, et al.
Publicado em: (2023)
Extreme Metastability of Diamond and its Transformation to BC8 Post-Diamond Phase of Carbon
Por: Nguyen-Cong, Kien, et al.
Publicado em: (2024)
Por: Nguyen-Cong, Kien, et al.
Publicado em: (2024)
Mitigating the Transition of SiV$^-$ in Diamond to an Optically Dark State
Por: Rieger, Manuel, et al.
Publicado em: (2025)
Por: Rieger, Manuel, et al.
Publicado em: (2025)
Multimode Jahn-Teller Effect in Negatively Charged Nitrogen-Vacancy Center in Diamond
Por: Zhang, Jianhua, et al.
Publicado em: (2025)
Por: Zhang, Jianhua, et al.
Publicado em: (2025)
Intervalence Plasmons in Boron-Doped Diamond
Por: Bhattacharya, Souvik, et al.
Publicado em: (2024)
Por: Bhattacharya, Souvik, et al.
Publicado em: (2024)
Revisiting Phase Transitions of Yttrium: Insights from Density Functional Theory
Por: Patel, Paras, et al.
Publicado em: (2025)
Por: Patel, Paras, et al.
Publicado em: (2025)
Semiconducting Electrides Derived From Sodalite: A First-principles Study
Por: Liu, Chang, et al.
Publicado em: (2024)
Por: Liu, Chang, et al.
Publicado em: (2024)
Diamond Micro-Chip for Quantum Microscopy
Por: Asif, Shahidul, et al.
Publicado em: (2024)
Por: Asif, Shahidul, et al.
Publicado em: (2024)
Enhancing interfacial thermal conductance in Si/Diamond heterostructures by phonon bridge
Por: Yin, Ershuai, et al.
Publicado em: (2025)
Por: Yin, Ershuai, et al.
Publicado em: (2025)
Automated High-throughput Organic Crystal Structure Prediction via Population-based Sampling
Por: Zhu, Qiang, et al.
Publicado em: (2024)
Por: Zhu, Qiang, et al.
Publicado em: (2024)
Registos relacionados
-
Combining Machine Learning Models with First-Principles High-Throughput Calculation to Accelerate the Search of Promising Thermoelectric Materials
Por: Fan, Tao, et al.
Publicado em: (2024) -
Optimizing Supercell Structures for Heisenberg Exchange Interaction Calculations
Por: Alaei, Mojtaba, et al.
Publicado em: (2024) -
SSCHA-based evolutionary crystal structure prediction at finite temperatures with account for quantum nuclear motion
Por: Poletaev, Daniil, et al.
Publicado em: (2025) -
mDCThermalC: A program for calculating thermal conductivity quickly and accurately
Por: Fan, Tao, et al.
Publicado em: (2019) -
Acceleration of crystal structure relaxation with Deep Reinforcement Learning
Por: Trukhan, Elena, et al.
Publicado em: (2025)