E-LIB Suche - Ergebnisse für: Brandenburg, Jan Gerit

1

Effect of Polymer Additives on the Crystal Habit of Metform..:

Bellucci, Michael A. ; Marx, Anke ; Wang, Bing...
Small Methods. 7 (2023) 6 - p. , 2023

2

Metal–organic frameworks properties from hybrid density fun..:

Donà, Lorenzo ; Brandenburg, Jan Gerit ; Civalleri, Bartolomeo
The Journal of Chemical Physics. 156 (2022) 9 - p. , 2022

Link: https://doi.org/10.1063/..

3

Interactions between large molecules pose a puzzle for refe..:

Al-Hamdani, Yasmine S. ; Nagy, Péter R. ; Zen, Andrea...
Nature Communications. 12 (2021) 1 - p. , 2021

Link: https://doi.org/10.1038/..

4

r2SCAN-D4: Dispersion corrected meta-generalized gradient a..:

Ehlert, Sebastian ; Huniar, Uwe ; Ning, Jinliang...
The Journal of Chemical Physics. 154 (2021) 6 - p. , 2021

Link: https://doi.org/10.1063/..

5

NanoSolveIT Project: Driving nanoinformatics research to de..:

Afantitis, Antreas ; Melagraki, Georgia ; Isigonis, Panagiotis...
Computational and Structural Biotechnology Journal. 18 (2020) - p. 583-602 , 2020

Link: https://doi.org/10.1016/..

6

New approaches to study excited states in density functiona..:

Brandenburg, Jan Gerit ; Burke, Kieron ; Fromager, Emmanuel...
Faraday Discussions. 224 (2020) - p. 483-508 , 2020

Link: https://doi.org/10.1039/..

7

Challenges for large scale simulation: general discussion:

Brandenburg, Jan Gerit ; Burke, Kieron ; Civalleri, Bartolomeo...
Faraday Discussions. 224 (2020) - p. 309-332 , 2020

Link: https://doi.org/10.1039/..

8

Liquid water contains the building blocks of diverse ice ph..:

Monserrat, Bartomeu ; Brandenburg, Jan Gerit ; Engel, Edgar A..
Nature Communications. 11 (2020) 1 - p. , 2020

Link: https://doi.org/10.1038/..

9

New density-functional approximations and beyond: general d..:

Brandenburg, Jan Gerit ; Burke, Kieron ; Cancio, Antonio...
Faraday Discussions. 224 (2020) - p. 166-200 , 2020

Link: https://doi.org/10.1039/..

10

Free-energy landscape of polymer-crystal polymorphism:

Liu, Chan ; Brandenburg, Jan Gerit ; Valsson, Omar..
Soft Matter. 16 (2020) 42 - p. 9683-9692 , 2020

Link: https://doi.org/10.1039/..

11

Interaction between water and carbon nanostructures: How go..:

Brandenburg, Jan Gerit ; Zen, Andrea ; Alfè, Dario.
The Journal of Chemical Physics. 151 (2019) 16 - p. , 2019

Link: https://doi.org/10.1063/..

12

A new scheme for fixed node diffusion quantum Monte Carlo w..:

Zen, Andrea ; Brandenburg, Jan Gerit ; Michaelides, Angelos.
The Journal of Chemical Physics. 151 (2019) 13 - p. , 2019

Link: https://doi.org/10.1063/..

13

Physisorption of Water on Graphene: Subchemical Accuracy fr..:

Brandenburg, Jan Gerit ; Zen, Andrea ; Fitzner, Martin...
The Journal of Physical Chemistry Letters. 10 (2019) 3 - p. 358-368 , 2019

Link: https://doi.org/10.1021/..

14

Structure and Stability of Molecular Crystals with Many-Bod..:

Mortazavi, Majid ; Brandenburg, Jan Gerit ; Maurer, Reinhard J..
The Journal of Physical Chemistry Letters. 9 (2018) 2 - p. 399-405 , 2018

Link: https://doi.org/10.1021/..

15

Simplified DFT methods for consistent structures and energi..:

Caldeweyher, Eike ; Brandenburg, Jan Gerit
Journal of Physics: Condensed Matter. 30 (2018) 21 - p. 213001 , 2018

Link: https://doi.org/10.1088/..