Daniele Padula

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 24

Top Topics

Histone Deacetylase

Molecular Dynamics

Perovskite Solar Cells

Energy Transfer

Top Venues

Nature communications

Science and technology of advanced materials

Chemistry, an Asian journal

The journal of physical chemistry. A

This page only lists publications with an associated author ORCID identifier.

Publications

Samuele Giannini, Wei-Tao Peng, Lorenzo Cupellini, Daniele Padula, Antoine Carof, Jochen Blumberger
Publisher Correction: Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization. Nature communications 15 (1) (2024)
Samuele Giannini, Wei-Tao Peng, Lorenzo Cupellini, Daniele Padula, Antoine Carof, Jochen Blumberger
Publisher Correction: Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization. Nature communications 15 (1) (2024)
Leonardo Barneschi, Leonardo Rotondi, Daniele Padula
Molecular Geometry Impact on Deep Learning Predictions of Inverted Singlet-Triplet Gaps. The journal of physical chemistry. A (2024)
Elena Ermini, Annalaura Brai, Elena Cini, Federica Finetti, Giuseppe Giannini, Daniele Padula, Lucrezia Paradisi, Federica Poggialini, Lorenza Trabalzini, Paola Tolu, Maurizio Taddei
A novel bioresponsive self-immolative spacer based on aza-quinone methide reactivity for the controlled release of thiols, phenols, amines, sulfonamides or amides. Chemical science 15 (16) (2024)
Mohammad Sedghi, Camilla Vael, Wei-Hsu Hu, Michael Bauer, Daniele Padula, Alessandro Landi, Mirko Lukovic, Matthias Diethelm, Gert-Jan Wetzelaer, Paul W M Blom, Frank Nüesch, Roland Hany
Formation of electron traps in semiconducting polymers via a slow triple-encounter between trap precursor particles. Science and technology of advanced materials 25 (1) (2024)
Mohammad Sedghi, Camilla Vael, Wei-Hsu Hu, Michael Bauer, Daniele Padula, Alessandro Landi, Mirko Lukovic, Matthias Diethelm, Gert-Jan Wetzelaer, Paul W M Blom, Frank Nüesch, Roland Hany
Formation of electron traps in semiconducting polymers via a slow triple-encounter between trap precursor particles. Science and technology of advanced materials 25 (1) (2024)
Daniele Padula
Discriminating Clockwise and Counterclockwise Photoisomerization Paths in Achiral Photoswitches by Excited-State Electronic Circular Dichroism. The journal of physical chemistry. B (2024)
Leonardo Barneschi, Leonardo Rotondi, Daniele Padula
Molecular Geometry Impact on Deep Learning Predictions of Inverted Singlet-Triplet Gaps. The journal of physical chemistry. A 128 (12) (2024)
Daniele Padula
A Computational Perspective on the Reactivity of π-spacers in Self-Immolative Elimination Reactions. Chemistry, an Asian journal 19 (7) (2024)
Elena Ermini, Annalaura Brai, Elena Cini, Federica Finetti, Giuseppe Giannini, Daniele Padula, Lucrezia Paradisi, Federica Poggialini, Lorenza Trabalzini, Paola Tolu, Maurizio Taddei
A novel bioresponsive self-immolative spacer based on aza-quinone methide reactivity for the controlled release of thiols, phenols, amines, sulfonamides or amides. Chemical science 15 (16) (2024)
Daniele Padula
A Computational Perspective on the Reactivity of π-spacers in Self-Immolative Elimination Reactions. Chemistry, an Asian journal (2024)
Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, Flavia Aleotti, Francesco Aquilante, Jochen Autschbach, Davide Avagliano, Alberto Baiardi, Jie J Bao, Stefano Battaglia, Letitia Birnoschi, Alejandro Blanco-González, Sergey I Bokarev, Ria Broer, Roberto Cacciari, Paul B Calio, Rebecca K Carlson, Rafael C Couto, Luis Cerdán, Liviu F Chibotaru, Nicholas F Chilton, Jonathan Richard Church, Irene Conti, Sonia Coriani, Juliana Cuéllar-Zuquin, Razan E Daoud, Nike Dattani, Piero Decleva, Coen de Graaf, Mickaël G Delcey, Luca De Vico, Werner Dobrautz, Sijia S Dong, Rulin Feng, Nicolas Ferré, Michael Filatov Gulak, Soumen Ghosh, Marco Garavelli, Leticia González, Yafu Guan, Meiyuan Guo, Matthew R Hennefarth, Matthew R Hermes, Chad E Hoyer, Miquel Huix-Rotllant, Vishal Kumar Jaiswal, Andy Kaiser, Danil S Kaliakin, Marjan Khamesian, Daniel S King, Vladislav Kochetov, Marek Krośnicki, Arpit Arun Kumaar, Ernst Dennis Larsson, Susi Lehtola, Marie-Bernadette Lepetit, Hans Lischka, Pablo López Ríos, Marcus Lundberg, Dongxia Ma, Sebastian Mai, Philipp Marquetand, Isabella C D Merritt, Francesco Montorsi, Maximilian Mörchen, Artur Nenov, Vu Ha Anh Nguyen, Yoshio Nishimoto, Meagan S Oakley, Massimo Olivucci, Markus Oppel, Daniele Padula, Riddhish Pandharkar, Quan Manh Phung, Felix Plasser, Gerardo Raggi, Elisa Rebolini, Markus Reiher, Ivan Rivalta, Daniel Roca-Sanjuán, Thies Romig, Arta Anushirwan Safari, Aitor Sánchez-Mansilla, Andrew M Sand, Igor Schapiro, Thais R Scott, Javier Segarra-Marti, Francesco Segatta, Dumitru-Claudiu Sergentu, Prachi Sharma, Ron Shepard, Yinan Shu, Jakob K Staab, Tjerk P Straatsma, Lasse Kragh Sørensen, Bruno Nunes Cabral Tenorio, Donald G Truhlar, Liviu Ungur, Morgane Vacher, Valera Veryazov, Torben Arne Voß, Oskar Weser, Dihua Wu, Xuchun Yang, David R Yarkony, Chen Zhou, J Patrick Zobel, Roland Lindh
The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry. Journal of chemical theory and computation (2023)
Ömer H Omar, Xiaoyu Xie, Alessandro Troisi, Daniele Padula
Identification of Unknown Inverted Singlet-Triplet Cores by High-Throughput Virtual Screening. Journal of the American Chemical Society (2023)
Ömer H Omar, Tahereh Nematiaram, Alessandro Troisi, Daniele Padula
Organic materials repurposing, a data set for theoretical predictions of new applications for existing compounds. Scientific data 9 (1) (2022)
Laura Pedraza-González, Leonardo Barneschi, Daniele Padula, Luca De Vico, Massimo Olivucci
Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol. Topics in current chemistry (Cham) 380 (3) (2022)
Samuele Giannini, Wei-Tao Peng, Lorenzo Cupellini, Daniele Padula, Antoine Carof, Jochen Blumberger
Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization. Nature communications 13 (1) (2022)
Leandro Greff da Silveira, Paolo Roberto Livotto, Daniele Padula, Guilherme Vilhena, Giacomo Prampolini
Accurate Quantum-Mechanically Derived Force-Fields through a Fragment-Based Approach: Balancing Specificity and Transferability in the Prediction of Self-Assembly in Soft Matter. Journal of chemical theory and computation 18 (11) (2022)
Leonardo Barneschi, Emanuele Marsili, Laura Pedraza-González, Daniele Padula, Luca De Vico, Danil S Kaliakin, Alejandro Blanco-González, Nicolas Ferré, Miquel Huix-Rotllant, Michael Filatov Gulak, Massimo Olivucci
On the fluorescence enhancement of arch neuronal optogenetic reporters. Nature communications 13 (1) (2022)
Riccardo Palombo, Leonardo Barneschi, Laura Pedraza-González, Daniele Padula, Igor Schapiro, Massimo Olivucci
Retinal chromophore charge delocalization and confinement explain the extreme photophysics of Neorhodopsin. Nature communications 13 (1) (2022)
Tahereh Nemati Aram, Daniele Padula, Alessandro Troisi
Bright Frenkel Excitons in Molecular Crystals: A Survey. Chemistry of materials : a publication of the American Chemical Society 33 (9) (2021)
Karen Strassel, Wei-Hsu Hu, Sonja Osbild, Daniele Padula, Daniel Rentsch, Sergii Yakunin, Yevhen Shynkarenko, Maksym Kovalenko, Frank A Nüesch, Roland Hany, Michael Bauer
Shortwave infrared-absorbing squaraine dyes for all-organic optical upconversion devices. Science and technology of advanced materials 22 (1) (2021)
Zhi-Wen Zhao, Ömer H Omar, Daniele Padula, Yun Geng, Alessandro Troisi
Computational Identification of Novel Families of Nonfullerene Acceptors by Modification of Known Compounds. The journal of physical chemistry letters 12 (20) (2021)
Daniele Padula, Gennaro Pescitelli
How and How Much Molecular Conformation Affects Electronic Circular Dichroism: The Case of 1,1-Diarylcarbinols. Molecules (Basel, Switzerland) 23 (1) (2018)
Daniele Padula, Myeong H Lee, Kirsten Claridge, Alessandro Troisi
Chromophore-Dependent Intramolecular Exciton-Vibrational Coupling in the FMO Complex: Quantification and Importance for Exciton Dynamics. The journal of physical chemistry. B 121 (43) (2017)