Saulius Gražulis

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 12

Top Topics

Convolutional Neural Network

Minimally Invasive

Raman Spectroscopy

Top Venues

Journal of cheminformatics

Journal of applied crystallography

Digital discovery

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

Publications

Matthew L Evans, Johan Bergsma, Andrius Merkys, Casper Welzel Andersen, Oskar B Andersson, Daniel Beltrán, Evgeny Blokhin, Tara M Boland, Rubén Castañeda Balderas, Kamal Choudhary, Alberto Díaz Díaz, Rodrigo Domínguez García, Hagen Eckert, Kristjan Eimre, María Elena Fuentes Montero, Adam M Krajewski, Jens Jørgen Mortensen, José Manuel Nápoles Duarte, Jacob Pietryga, Ji Qi, Felipe de Jesús Trejo Carrillo, Antanas Vaitkus, Jusong Yu, Adam Zettel, Pedro Baptista de Castro, Johan Carlsson, Tiago F T Cerqueira, Simon Divilov, Hamidreza Hajiyani, Felix Hanke, Kevin Jose, Corey Oses, Janosh Riebesell, Jonathan Schmidt, Donald Winston, Christen Xie, Xiaoyu Yang, Sara Bonella, Silvana Botti, Stefano Curtarolo, Claudia Draxl, Luis Edmundo Fuentes Cobas, Adam Hospital, Zi-Kui Liu, Miguel A L Marques, Nicola Marzari, Andrew J Morris, Shyue Ping Ong, Modesto Orozco, Kristin Aslaug Persson, Kristian Sommer Thygesen, Christopher M Wolverton, Markus Scheidgen, Cormac Toher, Gareth J Conduit, Giovanni Pizzi, Saulius Gražulis, Gian Marco Rignanese, Rickard Armiento
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange. Digital discovery 3 (8) (2024)
Matthew L Evans, Johan Bergsma, Andrius Merkys, Casper Welzel Andersen, Oskar B Andersson, Daniel Beltrán, Evgeny Blokhin, Tara M Boland, Rubén Castañeda Balderas, Kamal Choudhary, Alberto Díaz Díaz, Rodrigo Domínguez García, Hagen Eckert, Kristjan Eimre, María Elena Fuentes Montero, Adam M Krajewski, Jens Jørgen Mortensen, José Manuel Nápoles Duarte, Jacob Pietryga, Ji Qi, Felipe de Jesús Trejo Carrillo, Antanas Vaitkus, Jusong Yu, Adam Zettel, Pedro Baptista de Castro, Johan Carlsson, Tiago F T Cerqueira, Simon Divilov, Hamidreza Hajiyani, Felix Hanke, Kevin Jose, Corey Oses, Janosh Riebesell, Jonathan Schmidt, Donald Winston, Christen Xie, Xiaoyu Yang, Sara Bonella, Silvana Botti, Stefano Curtarolo, Claudia Draxl, Luis Edmundo Fuentes Cobas, Adam Hospital, Zi-Kui Liu, Miguel A L Marques, Nicola Marzari, Andrew J Morris, Shyue Ping Ong, Modesto Orozco, Kristin Aslaug Persson, Kristian Sommer Thygesen, Christopher M Wolverton, Markus Scheidgen, Cormac Toher, Gareth J Conduit, Giovanni Pizzi, Saulius Gražulis, Gian Marco Rignanese, Rickard Armiento
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange. Digital discovery 3 (8) (2024)
Andrius Merkys, Antanas Vaitkus, Algirdas Grybauskas, Aleksandras Konovalovas, Miguel Quirós, Saulius Gražulis
Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptions. Journal of cheminformatics 15 (1) (2023)
Antanas Vaitkus, Andrius Merkys, Thomas Sander, Miguel Quirós, Paul A Thiessen, Evan E Bolton, Saulius Gražulis
A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database. Journal of cheminformatics 15 (1) (2023)
Antanas Vaitkus, Andrius Merkys, Thomas Sander, Miguel Quirós, Paul A Thiessen, Evan E Bolton, Saulius Gražulis
A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database. Journal of cheminformatics 15 (1) (2023)
Andrius Merkys, Antanas Vaitkus, Algirdas Grybauskas, Aleksandras Konovalovas, Miguel Quirós, Saulius Gražulis
Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptions. Journal of cheminformatics 15 (1) (2023)
Andrius Merkys, Antanas Vaitkus, Algirdas Grybauskas, Aleksandras Konovalovas, Miguel Quirós, Saulius Gražulis
Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptions. Journal of cheminformatics 15 (1) (2023)
Joana Smirnovienė, Alexey Smirnov, Audrius Zakšauskas, Asta Zubrienė, Vytautas Petrauskas, Aurelija Mickevičiūtė, Vilma Michailovienė, Edita Čapkauskaitė, Elena Manakova, Saulius Gražulis, Lina Baranauskienė, Wen-Yih Chen, John Edward Ladbury, Daumantas Matulis
Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII. ChemistryOpen 10 (5) (2021)
Antanas Vaitkus, Andrius Merkys, Saulius Gražulis
Validation of the Crystallography Open Database using the Crystallographic Information Framework. Journal of applied crystallography 54 (Pt 2) (2021)
Yassine El Mendili, Antanas Vaitkus, Andrius Merkys, Saulius Gražulis, Daniel Chateigner, Fabrice Mathevet, Stéphanie Gascoin, Sebastien Petit, Jean-François Bardeau, Marco Zanatta, Maria Secchi, Gino Mariotto, Arun Kumar, Michele Cassetta, Luca Lutterotti, Evgeny Borovin, Beate Orberger, Patrick Simon, Bernard Hehlen, Monique Le Guen
Raman Open Database: first interconnected Raman-X-ray diffraction open-access resource for material identification. Journal of applied crystallography 52 (Pt 3) (2019)
Miguel Quirós, Saulius Gražulis, Saulė Girdzijauskaitė, Andrius Merkys, Antanas Vaitkus
Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database. Journal of cheminformatics 10 (1) (2018)
Andrius Merkys, Nicolas Mounet, Andrea Cepellotti, Nicola Marzari, Saulius Gražulis, Giovanni Pizzi
A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD. Journal of cheminformatics 9 (1) (2017)