Martina Stella
Imperial College London
H-index: 8
Europe-United Kingdom
Top articles of Martina Stella
Aqueous Solution Chemistry In Silico and the Role of Data Driven Approaches
arXiv preprint arXiv:2403.06236
2024/3/10
Martina Stella
H-Index: 5
Damian Scherlis
H-Index: 21
Exploratory Data Science on Supercomputers for Quantum Mechanical Calculations
arXiv preprint arXiv:2310.09552
2023/10/14
Laura E Ratcliff
H-Index: 14
Martina Stella
H-Index: 5
Towards accurate excitation energies in supramolecular systems: combining T-CDFT and fragments in the BigDFT code
APS March Meeting Abstracts
2023
Martina Stella
H-Index: 5
Transition-based constrained DFT for the robust and reliable treatment of excitations in supramolecular systems
Journal of Chemical Theory and Computation
2022/4/26
Martina Stella
H-Index: 5
Laura E Ratcliff
H-Index: 14
Probing disorder in 2CzPN using core and valence states
Physical Chemistry Chemical Physics
2022
A novel Transition-Based Constrained DFT (TCDFT) for the Robust and Reliable Treatment of Pure and Mixed Excitations in Molecular Systems.
APS March Meeting Abstracts
2022
Martina Stella
H-Index: 5
Effects of intercalated water on the lubricity of sliding layers under load: a theoretical investigation on MoS2
2D Materials
2021/6/21
Martina Stella
H-Index: 5
Fast molecular compression by a hyperthermal collision gives bond-selective mechanochemistry
Physical Review Letters
2021/2/1
Density functional theory calculations of large systems: Interplay between fragments, observables, and computational complexity
2022/5
Martina Stella
H-Index: 5
Laura E Ratcliff
H-Index: 14
Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations
The Journal of chemical physics
2020/5/21
Towards a systematic multi-scale method for excitations in molecular materials in the BigDFT code
Bulletin of the American Physical Society
2020/3/4
Martina Stella
H-Index: 5
Predicting core level photoelectron spectra of amino acids using density functional theory
The Journal of Physical Chemistry Letters
2020/3/3
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