E-LIB Suche - Ergebnisse für: Smit, Berend - Sprache DE

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1

Inverse design of metal–organic frameworks for direct air c..:

Park, Hyunsoo ; Majumdar, Sauradeep ; Zhang, Xiaoqi..
Digital Discovery. 3 (2024) 4 - p. 728-741 , 2024

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

2

Leveraging large language models for predictive chemistry:

Jablonka, Kevin Maik ; Schwaller, Philippe ; Ortega-Guerrero, Andres.
Nature Machine Intelligence. 6 (2024) 2 - p. 161-169 , 2024

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

3

Deep Learning-Based Recommendation System for Metal-Organic..:

Zhang, Xiaoqi ; Jablonka, Kevin Maik ; Smit, Berend
Digital Discovery. , 2024

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

4

Monte Carlo simulations:

, In: Understanding Molecular Simulation,

Frenkel, Daan ; Smit, Berend - p. 53-95 , 2023

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

5

Metal–organic framework-based oxygen carriers with antioxid..:

Liu, Xiaoli ; Domingues, Nency Patricio ; Oveisi, Emad...
Biomaterials Science. 11 (2023) 7 - p. 2551-2565 , 2023

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

6

Understanding molecular simulation: from algorithms to appl..:

Frenkel, Daan ; Smit, Berend - Third edition. . , 2023

Link: https://www.sciencedirec..

7

Molecular Dynamics simulations:

, In: Understanding Molecular Simulation,

Frenkel, Daan ; Smit, Berend - p. 97-124 , 2023

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

8

A Robust Framework for Generating Adsorption Isotherms to S..:

Moubarak, Elias ; Moosavi, Seyed Mohamad ; Charalambous, Charithea..
Industrial & Engineering Chemistry Research. 62 (2023) 26 - p. 10252-10265 , 2023

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

9

Introduction:

, In: Understanding Molecular Simulation,

Frenkel, Daan ; Smit, Berend - p. 1-8 , 2023

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

10

An Ecosystem for Digital Reticular Chemistry:

Jablonka, Kevin Maik ; Rosen, Andrew S. ; Krishnapriyan, Aditi S..
ACS Central Science. 9 (2023) 4 - p. 563-581 , 2023

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

11

Computer experiments:

, In: Understanding Molecular Simulation,

Frenkel, Daan ; Smit, Berend - p. 125-177 , 2023

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

12

Mesoscopic fluid models:

, In: Understanding Molecular Simulation,

Frenkel, Daan ; Smit, Berend - p. 559-570 , 2023

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

13

Accelerating Monte Carlo sampling:

, In: Understanding Molecular Simulation,

Frenkel, Daan ; Smit, Berend - p. 455-491 , 2023

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

14

Free-energy calculations:

, In: Understanding Molecular Simulation,

Frenkel, Daan ; Smit, Berend - p. 263-321 , 2023

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

15

Free energies of solids:

, In: Understanding Molecular Simulation,

Frenkel, Daan ; Smit, Berend - p. 323-350 , 2023

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

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