Leopold Talirz

9PUBLICATIONS
59CO-AUTHORS
Computational chemistryProgramming languagesData models, storage and indexingAutomated software engineeringNanoelectronics
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Publications (9)

|Mar 01, 2023
High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation.

Jan P Unsleber, Hongbin Liu, Leopold Talirz

|Aug 13, 2021
OPTIMADE, an API for exchanging materials data.

Casper W Andersen, Rickard Armiento, Evgeny Blokhin

|Sep 09, 2020
Materials Cloud, a platform for open computational science.

Leopold Talirz, Snehal Kumbhar, Elsa Passaro

|Sep 09, 2020
AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance.

Sebastiaan P Huber, Spyros Zoupanos, Martin Uhrin

|Mar 28, 2020
In Silico Discovery of Covalent Organic Frameworks for Carbon Capture.

Kathryn S Deeg, Daiane Damasceno Borges, Daniele Ongari

|Jul 16, 2019
Band Gap of Atomically Precise Graphene Nanoribbons as a Function of Ribbon Length and Termination.

Leopold Talirz, Hajo Söde, Shigeki Kawai

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