Andrius Merkys

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 14

Top Topics

Molecular Dynamics Simulations

Convolutional Neural Network

Minimally Invasive

Top Venues

Journal of cheminformatics

Journal of applied crystallography

Digital discovery

Scientific data

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)
Casper W Andersen, Rickard Armiento, Evgeny Blokhin, Gareth J Conduit, Shyam S Dwaraknath, Matthew L Evans, Ádám Fekete, Abhijith Gopakumar, Saulius Gražulis, Andrius Merkys, Fawzi Mohamed, Corey Oses, Giovanni Pizzi, Gian Marco Rignanese, Markus Scheidgen, Leopold Talirz, Cormac Toher, Donald Winston, Rossella Aversa, Kamal Choudhary, Pauline Colinet, Stefano Curtarolo, Davide Di Stefano, Claudia Draxl, Süleyman Er, Marco Esters, Marco Fornari, Matteo Giantomassi, Marco Govoni, Geoffroy Hautier, Vinay Hegde, Matthew K Horton, Patrick Huck, Georg Huhs, Jens Hummelshøj, Ankit Kariryaa, Boris Kozinsky, Snehal Kumbhar, Mohan Liu, Nicola Marzari, Andrew J Morris, Arash A Mostofi, Kristin A Persson, Guido Petretto, Thomas Purcell, Francesco Ricci, Frisco Rose, Matthias Scheffler, Daniel Speckhard, Martin Uhrin, Antanas Vaitkus, Pierre Villars, David Waroquiers, Chris Wolverton, Michael Wu, Xiaoyu Yang
OPTIMADE, an API for exchanging materials data. Scientific data 8 (1) (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)
Sebastiaan P Huber, Spyros Zoupanos, Martin Uhrin, Leopold Talirz, Leonid Kahle, Rico Häuselmann, Dominik Gresch, Tiziano Müller, Aliaksandr V Yakutovich, Casper Welzel Andersen, Francisco F Ramirez, Carl S Adorf, Fernando Gargiulo, Snehal Kumbhar, Elsa Passaro, Conrad Johnston, Andrius Merkys, Andrea Cepellotti, Nicolas Mounet, Nicola Marzari, Boris Kozinsky, Giovanni Pizzi
AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance. Scientific data 7 (1) (2020)
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)
Nicolas Mounet, Marco Gibertini, Philippe Schwaller, Davide Campi, Andrius Merkys, Antimo Marrazzo, Thibault Daniel Pierre Sohier, Ivano Eligio Castelli, Andrea Cepellotti, Giovanni Pizzi, Nicola Marzari
Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds. Nature nanotechnology 13 (3) (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)