| ·
Physics-informed neural networks for solving time-dependent mode-resolved phonon Boltzm...
|
2023-12-28 |
|
| ·
Full-scale ab initio simulations of laser-driven atomistic dynamics
|
2023-12-28 |
|
| ·
Transferable equivariant graph neural networks for the Hamiltonians of molecules and so...
|
2023-12-28 |
|
| ·
Topological superconductor candidates PdBi2Te4 and PdBi2Te5 from a generic ab initio st...
|
2023-12-28 |
|
| ·
The best thermoelectrics revisited in the quantum limit
|
2023-12-28 |
|
| ·
Prediction of Van Hove singularity systems in ternary borides
|
2023-12-28 |
|
| ·
Divide and conquer: Machine learning accelerated design of lead-free solder alloys wit...
|
2023-12-28 |
|
| ·
Closed-loop superconducting materials discovery
|
2023-12-28 |
|
| ·
Automatic identification of crystal structures and interfaces via artificial-intelligen...
|
2023-12-28 |
|
| ·
Accurate energy barriers for catalytic reaction pathways: an automatic training protoco...
|
2023-12-28 |
|
| ·
Accelerating GW calculations through machine-learned dielectric matrices
|
2023-12-28 |
|
| ·
Ultra-fast interpretable machine-learning potentials
|
2023-12-28 |
|
| ·
Ferromagnetism and ferroelectricity in a superlattice of antiferromagnetic perovskite o...
|
2023-12-28 |
|
| ·
Development of the reactive force field and silicon dry/wet oxidation process modeling
|
2023-12-28 |
|
| ·
AdsorbML: a leap in efficiency for adsorption energy calculations using generalizable m...
|
2023-12-28 |
|
| ·
Exploring the configuration space of elemental carbon with empirical and machine learne...
|
2023-12-28 |
|
| ·
Machine learning force fields for molecular liquids: Ethylene Carbonate/Ethyl Methyl Ca...
|
2023-12-28 |
|
| ·
Exploring anharmonic lattice dynamics and dielectric relations in niobate perovskites f...
|
2023-12-28 |
|
| ·
Enhancing the Faradaic efficiency of solid oxide electrolysis cells: progress and persp...
|
2023-12-28 |
|
| ·
A planar defect spin sensor in a two-dimensional material susceptible to strain and ele...
|
2023-12-28 |
|
| ·
A deep learning framework to emulate density functional theory
|
2023-12-27 |
|
| ·
Rational design of large anomalous Nernst effect in Dirac semimetals
|
2023-11-14 |
|
| ·
High-throughput deformation potential and electrical transport calculations
|
2023-11-14 |
|
| ·
Exploring high thermal conductivity polymers via interpretable machine learning with ph...
|
2023-11-14 |
|
| ·
Efficient screening framework for organic solar cells with deep learning and ensemble l...
|
2023-11-14 |
|
沪公网安备 31010502006565号
