Jiří Klimeš

9PUBLICATIONS
17CO-AUTHORS
Condensed matter modelling and density functional theoryCheminformatics and quantitative structure-activity relationshipsRadiation and matterAtomic and molecular physicsMain group metal chemistry
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Publications (9)

|Dec 08, 2025
Random-phase approximation vs Møller-Plesset perturbation theory for many-body energy contributions of hydrogen-bonded molecular solids.

Khanh Ngoc Pham, Marcin Modrzejewski, Jiří Klimeš

|Feb 26, 2025
Computation screening for incorrectly determined cocrystal structures.

Simona Chalupná, Michal Hušák, Jan Čejka

|Jun 10, 2024
Contributions beyond direct random-phase approximation in the binding energy of solid ethane, ethylene, and acetylene.

Khanh Ngoc Pham, Marcin Modrzejewski, Jiří Klimeš

|Dec 01, 2023
Using Noncovalent Interactions to Test the Precision of Projector-Augmented Wave Data Sets.

Sirous Yourdkhani, Jiří Klimeš

|Aug 02, 2023
Magnetically Induced Binary Ferrocene with Oxidized Iron.

Saif Ullah, Stephanie Jensen, Yanyao Liu

|Apr 15, 2023
Assessment of random phase approximation and second-order Møller-Plesset perturbation theory for many-body interactions in solid ethane, ethylene, and acetylene.

Khanh Ngoc Pham, Marcin Modrzejewski, Jiří Klimeš

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Frequent Collaborators

5 joint publications

Marcin Modrzejewski

3 joint publications

Sirous Yourdkhani

3 joint publications

Khanh Ngoc Pham

1 joint publications

Szymon Śmiga