Ilić, Nebojša;Tan, Kui;Mayr, Felix;Hou, Shujin;Aumeier, Benedikt M.;Morales, Eder Moisés Cedeño;Hübner, Uwe;Cookman, Jennifer;Schneemann, Andreas;Gagliardi, Alessio;Drewes, Jörg E.;Fischer, Roland A.;Mukherjee, Soumya
Trace Adsorptive Removal of PFAS from Water by Optimizing the UiO‐66 MOF Interface
Advanced Materials
2024
37
6

Speckbacher, Maximilian;Rinderle, Michael;Bienek, Oliver;Sharp, Ian D.;Gagliardi, Alessio;Tornow, Marc
Conductive filament distribution in nano-scale electrochemical metallization cells
Nanoscale
2024
16
42
19675-19682

Lei, Da;Shang, Wenzhe;Cheng, Lyuyang;Poonam;Kaiser, Waldemar;Banerjee, Pritam;Tu, Suo;Henrotte, Olivier;Zhang, Jinsheng;Gagliardi, Alessio;Jinschek, Joerg;Cortés, Emiliano;Müller‐Buschbaum, Peter;Bandarenka, Aliaksandr S.;Hussain, Mian Zahid;Fischer, Roland A.
Ion‐Transport Kinetics and Interface Stability Augmentation of Zinc Anodes Based on Fluorinated Covalent Organic Framework Thin Films
Advanced Energy Materials
2024
14
46

Kouroudis, Ioannis;Poonam;Misciaci, Neel;Mayr, Felix;Müller, Leon;Gu, Zhaosu;Gagliardi, Alessio
AUGUR, A flexible and efficient optimization algorithm for identification of optimal adsorption sites
2024

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