日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Using genetic algorithms to systematically improve the synthesis conditions of Al-PMOF

利用遗传算法系统地改进Al-PMOF的合成条件

Domingues, Nency P; Moosavi, Seyed Mohamad; Talirz, Leopold; Jablonka, Kevin Maik; Ireland, Christopher P; Ebrahim, Fatmah Mish; Smit, Berend

OPTIMADE, an API for exchanging materials data

OPTIMADE,一个用于交换材料数据的API

Andersen, Casper W; Armiento, Rickard; Blokhin, Evgeny; Conduit, Gareth J; Dwaraknath, Shyam; Evans, Matthew L; Fekete, Ádám; Gopakumar, Abhijith; Gražulis, Saulius; Merkys, Andrius; Mohamed, Fawzi; Oses, Corey; Pizzi, Giovanni; Rignanese, Gian-Marco; Scheidgen, Markus; Talirz, Leopold; Toher, Cormac; Winston, Donald; Aversa, Rossella; Choudhary, Kamal; Colinet, Pauline; Curtarolo, Stefano; Di Stefano, Davide; Draxl, Claudia; Er, Suleyman; Esters, Marco; Fornari, Marco; Giantomassi, Matteo; Govoni, Marco; Hautier, Geoffroy; Hegde, Vinay; Horton, Matthew K; Huck, Patrick; Huhs, Georg; Hummelshøj, Jens; Kariryaa, Ankit; Kozinsky, Boris; Kumbhar, Snehal; Liu, Mohan; Marzari, Nicola; Morris, Andrew J; Mostofi, Arash A; Persson, Kristin A; Petretto, Guido; Purcell, Thomas; Ricci, Francesco; Rose, Frisco; Scheffler, Matthias; Speckhard, Daniel; Uhrin, Martin; Vaitkus, Antanas; Villars, Pierre; Waroquiers, David; Wolverton, Chris; Wu, Michael; Yang, Xiaoyu

Too Many Materials and Too Many Applications: An Experimental Problem Waiting for a Computational Solution

材料过多,应用范围过广:亟待计算解决的实验问题

Ongari, Daniele; Talirz, Leopold; Smit, Berend

AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance

AiiDA 1.0,一个可扩展的计算基础设施,用于自动化可复现工作流程和数据溯源

Huber, Sebastiaan P; Zoupanos, Spyros; Uhrin, Martin; Talirz, Leopold; Kahle, Leonid; Häuselmann, Rico; Gresch, Dominik; Müller, Tiziano; Yakutovich, Aliaksandr V; Andersen, Casper W; Ramirez, Francisco F; Adorf, Carl S; Gargiulo, Fernando; Kumbhar, Snehal; Passaro, Elsa; Johnston, Conrad; Merkys, Andrius; Cepellotti, Andrea; Mounet, Nicolas; Marzari, Nicola; Kozinsky, Boris; Pizzi, Giovanni

Materials Cloud, a platform for open computational science

Materials Cloud,一个开放的计算科学平台

Talirz, Leopold; Kumbhar, Snehal; Passaro, Elsa; Yakutovich, Aliaksandr V; Granata, Valeria; Gargiulo, Fernando; Borelli, Marco; Uhrin, Martin; Huber, Sebastiaan P; Zoupanos, Spyros; Adorf, Carl S; Andersen, Casper Welzel; Schütt, Ole; Pignedoli, Carlo A; Passerone, Daniele; VandeVondele, Joost; Schulthess, Thomas C; Smit, Berend; Pizzi, Giovanni; Marzari, Nicola

Capturing chemical intuition in synthesis of metal-organic frameworks

在金属有机框架合成中捕捉化学直觉

Moosavi, Seyed Mohamad; Chidambaram, Arunraj; Talirz, Leopold; Haranczyk, Maciej; Stylianou, Kyriakos C; Smit, Berend

Giant edge state splitting at atomically precise graphene zigzag edges

在原子级精确的石墨烯锯齿形边缘处观察到巨大的边缘态分裂

Wang, Shiyong; Talirz, Leopold; Pignedoli, Carlo A; Feng, Xinliang; Müllen, Klaus; Fasel, Roman; Ruffieux, Pascal