1 citations · 1 across the 3 of their papers we have counts for
3 papers
Theoretical study of the influence of the photosynthetic membrane on B800-B850 energy transfer within the peripheral light-harvesting complex LH2
Chawntell Kulkarni, Hallmann Óskar Gestsson, Lorenzo Cupellini +2
Photosynthetic organisms rely on a network of light-harvesting protein-pigment complexes to efficiently absorb sunlight and transfer excitation energy to reaction center proteins f…
The OpenMMPol Library for Polarizable QM/MM Calculations of Properties and Dynamics
Mattia Bondanza, Tommaso Nottoli, Michele Nottoli +3
We present a new library designed to provide a simple and straightforward way to implement QM/AMOEBA and other polarizable QM/MM methods based on induced point dipoles. The library…
Electronic excited states from physically-constrained machine learning
Edoardo Cignoni, Divya Suman, Jigyasa Nigam +3
Data-driven techniques are increasingly used to replace electronic-structure calculations of matter. In this context, a relevant question is whether machine learning (ML) should be…