Kouroudis, Ioannis;Poonam;Misciasci, Neel;Mayr, Felix;Müller, Leon;Gu, Zhaosu;Gagliardi, Alessio
AUGUR, a flexible and efficient optimization algorithm for identification of optimal adsorption sites
npj Computational Materials
2025
11
1

Gagliardi, Alessio
Material dynamics simulations enhanced by machine learning through generative methods integrated with experimental data
Proceedings of the International Conference on Hybrid and Organic Photovoltaics
FUNDACIO DE LA COMUNITAT VALENCIANA SCITO
2025

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

Flores-Diaz, Natalie;De Rossi, Francesca;Keller, Timo;Morritt, Harvey;Perez Bassart, Zaida;Lopez-Rubio, Amparo;Jose Fabra, Maria;Freitag, Richard;Gagliardi, Alessio;Fasulo, Francesca;Muñoz-García, Ana Belen;Pavone, Michele;Javanbakht Lomeri, Hamed;Sanchez Alonso, Sandy;Grätzel, Michael;Brunetti, Francesca;Freitag, Marina
Unlocking high-performance photocapacitors for edge computing in low-light environments
Energy & Environmental Science
2025
18
10
4704-4716

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