Kouroudis, Ioannis;Gößwein, Manuel;Gagliardi, Alessio
Utilizing Data-Driven Optimization to Automate the Parametrization of Kinetic Monte Carlo Models
The Journal of Physical Chemistry A
2023
127
28
5967-5978

Kollmannsberger, Kathrin L.;Poonam;Cesari, Cristiana;Khare, Rachit;Kratky, Tim;Boniface, Maxime;Tomanec, Ondřej;Michalička, Jan;Mosconi, Edoardo;Gagliardi, Alessio;Günther, Sebastian;Kaiser, Waldemar;Lunkenbein, Thomas;Zacchini, Stefano;Warnan, Julien;Fischer, Roland A.
Mechanistic Insights into ZIF-8 Encapsulation of Atom-Precise Pt(M) Carbonyl Clusters
Chemistry of Materials
2023
35
14
5475-5486

Siddiqui, Gohar Ali;Stebani, Julia A.;Wragg, Darren;Koutsourelakis, Phaedon‐Stelios;Casini, Angela;Gagliardi, Alessio
Application of Machine Learning Algorithms to Metadynamics for the Elucidation of the Binding Modes and Free Energy Landscape of Drug/Target Interactions: a Case Study
Chemistry – A European Journal
2023
29
62

Maur, Matthias Auf der;Phan, Anh-Luan;Soccodato, Daniele;Vito, Alessia Di;Pecchia, Alessandro
Multiscale Approaches for Electronic Device Simulation
2023 IEEE Nanotechnology Materials and Devices Conference (NMDC)
IEEE
2023

Harth, M.;Vesce, L.;Kouroudis, I.;Stefanelli, M.;Di Carlo, A.;Gagliardi, A.
Optoelectronic perovskite film characterization via machine vision
Solar Energy
2023
262
111840

Abdullahi, Ibrahim Munkaila;Thomas, Siby;Gagliardi, Alessio;Zaeem, Mohsen Asle;Nath, Manashi
Nanostructured Ternary Nickel‐Based Mixed Anionic (Telluro)‐Selenide as a Superior Catalyst for Oxygen Evolution Reaction
Energy Technology
2023
11
7

Katzenmeier, Leon;Gößwein, Manuel;Carstensen, Leif;Sterzinger, Johannes;Ederer, Michael;Müller-Buschbaum, Peter;Gagliardi, Alessio;Bandarenka, Aliaksandr S.
Mass transport and charge transfer through an electrified interface between metallic lithium and solid-state electrolytes
Communications Chemistry
2023
6
1

Thomas, Siby;Mayr, Felix;Gagliardi, Alessio
Adsorption and sensing properties of SF6 decomposed gases on Mg-MOF-74
Solid State Communications
2023
363
115120

Thomas, Siby;Mayr, Felix;Kulangara Madam, Ajith;Gagliardi, Alessio
Machine learning and DFT investigation of CO, CO₂ and CH₄ adsorption on pristine and defective two-dimensional magnesene
Physical Chemistry Chemical Physics
2023
25
18
13170-13182

Michaels, Hannes;Rinderle, Michael;Benesperi, Iacopo;Freitag, Richard;Gagliardi, Alessio;Freitag, Marina
Emerging indoor photovoltaics for self-powered and self-aware IoT towards sustainable energy management
Chemical Science
2023
14
20
5350-5360