activity
20052026
most citedReal-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems

536 citations · 1.1k across the 24 of their papers we have counts for

collaborators

26 papers

cond-mat.mtrl-sci2026

Ultrafast Nonthermal Lattice Destabilization and Suppression of Polar Optical Scattering in Electronically Excited -SiO from First-Principles and Deep Neural Network Potential Modeling

Iyyappa Rajan Panneerselvam, Mark Yeung, Charlotte Palmer +2

We present a multiscale first-principles-to-machine-learning approach to investigate ultrafast lattice dynamics in electronically excited -SiO. Ab initio molecular dynamics…

math.OC2023★ 2 cited

Adaptive proximal algorithms for convex optimization under local Lipschitz continuity of the gradient

Puya Latafat, Andreas Themelis, Lorenzo Stella +1

Backtracking linesearch is the de facto approach for minimizing continuously differentiable functions with locally Lipschitz gradient. In recent years, it has been shown that in th…

cond-mat.mtrl-sci2022

Thermoelectric properties of cement composite analogues from first principles calculations

Esther Orisakwe, Conrad Johnston, Ruchita Jani +8

Buildings are responsible for a considerable fraction of the energy wasted globally every year, and as a result, excess carbon emissions. While heat is lost directly in colder mont…

math.OC2020★ 14 cited

Douglas-Rachford splitting and ADMM for nonconvex optimization: Accelerated and Newton-type linesearch algorithms

Andreas Themelis, Lorenzo Stella, Panagiotis Patrinos

Although the performance of popular optimization algorithms such as Douglas-Rachford splitting (DRS) and the ADMM is satisfactory in small and well-scaled problems, ill conditionin…

math.OC2018★ 5 cited

Newton-type Alternating Minimization Algorithm for Convex Optimization

Lorenzo Stella, Andreas Themelis, Panagiotis Patrinos

We propose NAMA (Newton-type Alternating Minimization Algorithm) for solving structured nonsmooth convex optimization problems where the sum of two functions is to be minimized, on…

eess.SP2018★ 18 cited

Proximal Gradient Algorithms: Applications in Signal Processing

Niccolò Antonello, Lorenzo Stella, Panagiotis Patrinos +1

Advances in numerical optimization have supported breakthroughs in several areas of signal processing. This paper focuses on the recent enhanced variants of the proximal gradient n…