ABSTRACT: Interpreting the impedance response of perovskite solar cells (PSCs) is significantly more challenging than for most other photovoltaics. This …
Success Stories
A first-principles investigation of the structural and electrochemical properties of biredox ionic species in acetonitrile
ABSTRACT: Biredox ionic liquids are a new class of functionalized electrolytes that may play an important role in future capacitive …
Quantum Monte Carlo determination of the principal Hugoniot of deuterium
Abstract: We present coupled electron-ion Monte Carlo results for the principal Hugoniot of deuterium together with an accurate study of …
SHEMAT-Suite: An open-source code for simulating flow, heat and species transport in porous media
Abstract: SHEMAT-Suite is a finite-difference open-source code for simulating coupled flow, heat and species transport in porous media. The code,written …
Implicitly Extrapolated Geometric Multigrid on Disk-Like Domains for the Gyrokinetic Poisson Equation from Fusion Plasma Applications
Abstract: The gyrokinetic Poisson equation arises as a subproblem of Tokamak fusion reactor simulations. It is often posed on disk-like …
Next steps in the footprint project: a feasibility study of installing solar panels on Bath Abbey
Abstract: Reduction of the carbon footprint of historic buildings is urgent, given their exceptionally large energy demand. In this study, …
Reducing hydrological modelling uncertainty by using MODIS snow cover data and a topography-based distribution function snowmelt model
Abstract: This work introduces a general multi-objective parameter estimation framework to exploit MODIS-based snow cover maps to reduce predictive streamflow …
Tuning the Electronic Properties of Graphane via Hydroxylation: An Ab Initio Study
Abstract: The thermodynamic stability of hydroxylated graphane, that is, fully sp3 graphene derivatives coordinated with -H and -OH groups, has …
MetalWalls: A classical molecular dynamics software dedicated to the simulation of electrochemical systems
Abstract: Applied electrochemistry plays a key role in many technologies, such as Li-ion batteries, fuel cells, supercapacitors, solar cells, etc. …
BootCMatchG: An adaptive Algebraic MultiGrid linear solver for GPUs
Abstract: Sparse solvers are one of the building blocks of any technology for reliable and high-performance scientific and engineering computing. …