default search action
Teodoro Laino
Person information
Refine list
refinements active!
zoomed in on ?? of ?? records
view refined list in
export refined list as
Journal Articles
- 2024
- [j10]Yuri Alexeev, Maximilian Amsler, Marco Antonio Barroca, Sanzio Bassini, Torey Battelle, Daan Camps, David Casanova, Young Jay Choi, Frederic T. Chong, Charles Chung, Christopher Codella, Antonio D. Córcoles, James Cruise, Alberto Di Meglio, Ivan Duran, Thomas Eckl, Sophia E. Economou, Stephan Eidenbenz, Bruce Elmegreen, Clyde Fare, Ismael Faro, Cristina Sanz Fernández, Rodrigo Neumann Barros Ferreira
, Keisuke Fuji, Bryce Fuller, Laura Gagliardi, Giulia Galli, Jennifer R. Glick, Isacco Gobbi, Pranav Gokhale, Salvador de la Puente Gonzalez, Johannes Greiner, Bill Gropp, Michele Grossi, Emanuel Gull, Burns Healy, Matthew R. Hermes
Quantum-centric supercomputing for materials science: A perspective on challenges and future directions. Future Gener. Comput. Syst. 160: 666-710 (2024) - 2023
- [j9]Miruna T. Cretu
Standardizing chemical compounds with language models. Mach. Learn. Sci. Technol. 4(3): 35014 (2023) - 2021
- [j8]Philippe Schwaller
Prediction of chemical reaction yields using deep learning. Mach. Learn. Sci. Technol. 2(1): 15016 (2021) - [j7]Jannis Born
Data-driven molecular design for discovery and synthesis of novel ligands: a case study on SARS-CoV-2. Mach. Learn. Sci. Technol. 2(2): 25024 (2021) - [j6]Philippe Schwaller
Mapping the space of chemical reactions using attention-based neural networks. Nat. Mach. Intell. 3(2): 144-152 (2021) - [j5]Alessandra Toniato
Unassisted noise reduction of chemical reaction datasets. Nat. Mach. Intell. 3(6): 485-494 (2021) - 2018
- [j4]Federico Zipoli, Mahdi Hijazi
Semiempirical molecular dynamics (SEMD) simulations: Parameterization and validation for biological systems precursors. IBM J. Res. Dev. 62(6): 5:1-5:9 (2018) - 2015
- [j3]Letif Mones, Andrew Jones, Andreas W. Götz
The adaptive buffered force QM/MM method in the CP2K and AMBER software packages. J. Comput. Chem. 36(9): 633-648 (2015) - 2013
- [j2]Sadaf R. Alam, Constantine Bekas, Hans Boettiger, Alessandro Curioni, Gilles Fourestey, Willi Homberg, Michael Knobloch
Early experiences with scientific applications on the IBM Blue Gene/Q supercomputer. IBM J. Res. Dev. 57(1/2): 14 (2013) - 2005
- [j1]Daniele Passerone
Exploring conical intersection spaces using pseudo-dynamics and band optimization: a novel strategy. Comput. Phys. Commun. 169(1-3): 305-308 (2005)
Conference and Workshop Papers
- 2023
- [c7]Dimitrios Christofidellis, Giorgio Giannone, Jannis Born, Ole Winther, Teodoro Laino, Matteo Manica:
Unifying Molecular and Textual Representations via Multi-task Language Modelling. ICML 2023: 6140-6157 - 2021
- [c6]Joppe Geluykens, Sandra Mitrovic, Carlos Ortega Vázquez, Teodoro Laino, Alain C. Vaucher, Jochen De Weerdt:
Neural Machine Translation for Conditional Generation of Novel Procedures. HICSS 2021: 1-10 - 2020
- [c5]Vijil Chenthamarakshan, Payel Das, Samuel C. Hoffman, Hendrik Strobelt, Inkit Padhi, Kar Wai Lim, Benjamin Hoover, Matteo Manica, Jannis Born, Teodoro Laino, Aleksandra Mojsilovic:
CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models. NeurIPS 2020 - 2016
- [c4]A. Pozdneev, Valéry Weber, Teodoro Laino, Constantine Bekas, Alessandro Curioni:
Enhanced MPSM3 for applications to quantum biological simulations. SC 2016: 96-106 - [c3]Valéry Weber, A. Cristiano I. Malossi
First Experiences with ab initio Molecular Dynamics on OpenPOWER: The Case of CPMD. ISC Workshops 2016: 228-234 - 2014
- [c2]Valéry Weber, Costas Bekas, Teodoro Laino, Alessandro Curioni, Adam Bertsch, Scott Futral:
Shedding Light on Lithium/Air Batteries Using Millions of Threads on the BG/Q Supercomputer. IPDPS 2014: 735-744 - 2010
- [c1]G. N. Shumkin, M. Popov, Alessandro Curioni, Teodoro Laino:
A multiscale modelling of naphthalocyanine-based molecular switch. ICCS 2010: 185-192
Informal and Other Publications
- 2024
- [i11]Marvin Alberts, Oliver Schilter, Federico Zipoli, Nina Hartrampf, Teodoro Laino:
Unraveling Molecular Structure: A Multimodal Spectroscopic Dataset for Chemistry. CoRR abs/2407.17492 (2024) - 2023
- [i10]Dimitrios Christofidellis, Giorgio Giannone, Jannis Born, Ole Winther, Teodoro Laino, Matteo Manica:
Unifying Molecular and Textual Representations via Multi-task Language Modelling. CoRR abs/2301.12586 (2023) - [i9]Nikita Janakarajan, Tim Erdmann, Sarath Swaminathan, Teodoro Laino, Jannis Born:
Language models in molecular discovery. CoRR abs/2309.16235 (2023) - 2021
- [i8]Alessandra Toniato, Philippe Schwaller, Antonio Cardinale, Joppe Geluykens, Teodoro Laino:
Unassisted Noise Reduction of Chemical Reaction Data Sets. CoRR abs/2102.01399 (2021) - 2020
- [i7]Hakime Öztürk, Arzucan Özgür, Philippe Schwaller, Teodoro Laino, Elif Özkirimli Ölmez:
Exploring Chemical Space using Natural Language Processing Methodologies for Drug Discovery. CoRR abs/2002.06053 (2020) - [i6]Philippe Schwaller, Daniel Probst, Alain C. Vaucher, Vishnu H. Nair, David Kreutter, Teodoro Laino, Jean-Louis Reymond:
Mapping the Space of Chemical Reactions Using Attention-Based Neural Networks. CoRR abs/2012.06051 (2020) - [i5]Théophile Gaudin, Oliver Schilter, Federico Zipoli, Teodoro Laino:
Advanced Data-Driven Manufacturing. ERCIM News 2020(122) (2020) - 2019
- [i4]Matteo Manica, Christoph Auer, Valéry Weber, Federico Zipoli, Michele Dolfi, Peter W. J. Staar, Teodoro Laino, Costas Bekas, Akihiro Fujita
An Information Extraction and Knowledge Graph Platform for Accelerating Biochemical Discoveries. CoRR abs/1907.08400 (2019) - [i3]Philippe Schwaller, Riccardo Petraglia, Valerio Zullo, Vishnu H. Nair, Rico Andreas Haeuselmann, Riccardo Pisoni, Costas Bekas, Anna Iuliano, Teodoro Laino:
Predicting retrosynthetic pathways using a combined linguistic model and hyper-graph exploration strategy. CoRR abs/1910.08036 (2019) - 2018
- [i2]Philippe Schwaller, Teodoro Laino, Théophile Gaudin, Peter Bolgar, Costas Bekas, Alpha A. Lee:
Molecular Transformer for Chemical Reaction Prediction and Uncertainty Estimation. CoRR abs/1811.02633 (2018) - 2017
- [i1]Philippe Schwaller, Théophile Gaudin, David Lanyi, Costas Bekas, Teodoro Laino:
"Found in Translation": Predicting Outcomes of Complex Organic Chemistry Reactions using Neural Sequence-to-Sequence Models. CoRR abs/1711.04810 (2017)
Coauthor Index
manage site settings
To protect your privacy, all features that rely on external API calls from your browser are turned off by default. You need to opt-in for them to become active. All settings here will be stored as cookies with your web browser. For more information see our F.A.Q.
Unpaywalled article links
Add open access links from to the list of external document links (if available).
Privacy notice: By enabling the option above, your browser will contact the API of unpaywall.org to load hyperlinks to open access articles. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Unpaywall privacy policy.
Archived links via Wayback Machine
For web page which are no longer available, try to retrieve content from the of the Internet Archive (if available).
Privacy notice: By enabling the option above, your browser will contact the API of archive.org to check for archived content of web pages that are no longer available. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Internet Archive privacy policy.
Reference lists
Add a list of references from ,
, and
to record detail pages.
load references from crossref.org and opencitations.net
Privacy notice: By enabling the option above, your browser will contact the APIs of crossref.org, opencitations.net, and semanticscholar.org to load article reference information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Crossref privacy policy and the OpenCitations privacy policy, as well as the AI2 Privacy Policy covering Semantic Scholar.
Citation data
Add a list of citing articles from and
to record detail pages.
load citations from opencitations.net
Privacy notice: By enabling the option above, your browser will contact the API of opencitations.net and semanticscholar.org to load citation information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the OpenCitations privacy policy as well as the AI2 Privacy Policy covering Semantic Scholar.
OpenAlex data
Load additional information about publications from .
Privacy notice: By enabling the option above, your browser will contact the API of openalex.org to load additional information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the information given by OpenAlex.
last updated on 2024-10-07 21:18 CEST by the dblp team
all metadata released as open data under CC0 1.0 license
see also: Terms of Use | Privacy Policy | Imprint
dblp was originally created in 1993 at:
since 2018, dblp has been operated and maintained by:
the dblp computer science bibliography is funded and supported by: