CRS4

Publications de Kuleshova au CRS4


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Publications en 2024
Peer-reviewed publications in International Journals
[2-HHK24] [Add to your selection]
The seventh blind test of crystal structure prediction: structure generation methods
L.M. Hunnisett, Detlef W.M. Hofmann, Liudmila Kuleshova, Luca Pilia, et al.
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials International Union of Crystallography vol. 80 - 2024  doi: 10.1107/S2052520624007492
 
Publications en 2023
Peer-reviewed publications in International Journals
[2-HK23] [Add to your selection]
A general force field by machine learning on experimental crystal structures. Calculations of intermolecular Gibbs energy with FlexCryst
Detlef W.M. Hofmann, Liudmila Kuleshova
Acta Crystallographica Section A International Union of Crystallography pages 132-144 vol. A79 - 2023
issn: 2053-2733  doi: 10.1107/S2053273323000268
 
Publications en 2022
Books and Book Chapters
[1-HK22] [Add to your selection]
Data mining. I. Machine learning in crystallography
Detlef W.M. Hofmann, Liudmila Kuleshova
International Tables for Crystallography (2021). Vol. C, International Union of Crystallography - 2022
 
Publications en 2021
Peer-reviewed publications in International Journals
[2-HK21] [Add to your selection]
Lattice Energies of all known Crystal Structures
Detlef W.M. Hofmann, Liudmila Kuleshova
Zeitschrift fuer Kristallographie Walter de Gruyter GmbH, Berlin/Boston pages 50 vol. 41 - 2021
issn: 0930-486X
isbn: 978-3-11-074007-3
Peer-reviewed publications in international events
[4-HK21] [Add to your selection]
Machine Learning on Experimental Crystal Structures to parameterize Models of the Gibbs Energy in Computational Crystallography
Detlef W.M. Hofmann, Liudmila Kuleshova
Twenty-Fifth Congress and General Assembly of the International Union of Crystallography International Union of Crystallography - 2021
 
Publications en 2020
Books and Book Chapters
[1-HK20] [Add to your selection]
International Tables for Crystallography, Volume C: Mathematical, physical and chemical tables
Detlef W.M. Hofmann, Liudmila Kuleshova
Wiley, chap. data mining and machine learning in crystallography., pages accepted International Tables for Crystallography - 2020
Peer-reviewed publications in International Journals
[2-HK20] [Add to your selection]
Crystal Structure Engineering with FlexCryst by Visualization of the Intermolecular Interactions
Detlef W.M. Hofmann, Liudmila Kuleshova
Zeitschrift fuer Kristallographie vol. 40, Supplement - 2020
Peer-reviewed publications in international events
[4-HK20] [Add to your selection]
Crystal Structure Engineering with FlexCryst by Visualization of the Intermolecular Interactions
Detlef W.M. Hofmann, Liudmila Kuleshova
Annual Meeting of the German Crystallographic Society (DGK) De Gruyter - 2020  doi: doi.org/10.1515/9783110740172
 
Publications en 2019
Peer-reviewed publications in international events
[4-KH19] [Add to your selection]
Data Mining Force Field: Crystal Properties Estimation and Screening for Polymorphs, Cocrystals and Salts
Liudmila Kuleshova, Detlef W.M. Hofmann
DGK 27th Annual Meeting of the German Crystallographic Society - 2019
 
Publications en 2018
Peer-reviewed publications in International Journals
[2-HK18] [Add to your selection]
Phase diagram prediction by data mining via temperature-dependent force fields
Detlef W.M. Hofmann, Liudmila Kuleshova
Acta Crystallographica Section A International Union of Crystallography pages E120--E121 vol. 74 - 2018
[2-HK18] [Add to your selection]
Empirical Temperature-dependent Intermolecular Potentials Determined by Data Mining from Crystal Data
Detlef W.M. Hofmann, Liudmila Kuleshova
Chemical Physics Letters Elsvier pages 115--224 vol. 699 - may 2018  doi: 10.1016/j.cplett.2018.03.053
Peer-reviewed publications in international events
[4-HK18] [Add to your selection]
Phase Diagram Prediction by Data Mining via temperature-dependent Force Fields
Detlef W.M. Hofmann, Liudmila Kuleshova
31th European Crystallographic Meeting - 2018
 
Publications en 2017
Peer-reviewed publications in international events
[4-KH17] [Add to your selection]
Virtual Cocrystals screening with Data Mining Force Field
Liudmila Kuleshova, Detlef W.M. Hofmann
53rd Symposium on Theoretical Chemistry 2017: Arbeitsgemeinschaft Theoretische Chemie (AGTC) - august 2017
 
Publications en 2016
Peer-reviewed publications in International Journals
[2-RCA16] [Add to your selection]
Report on the Sixth Blind Test of Organic Crystal-Structure Prediction Methods
Anthony M. Reilly, Richard I. Cooper, Claire S. Adjiman, Detlef W.M. Hofmann, Liudmila Kuleshova, ...
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials International Union of Crystallography pages 439--459 vol. 72 num. 4 - 2016  doi: 10.1107/S2052520616007447
 
Publications en 2015
Peer-reviewed publications in International Journals
[2- JK15] [Add to your selection]
Cocrystals of Pentoxifylline: in silico and experimental screening
Dmitrijs Stepanovs, Mara Jure, Liudmila Kuleshova, Detlef W.M. Hofmann, Anatolij Mishnev
Crystal Growth & Design American Chemical Society pages 3652--3660 vol. 15 num. 8 - june 2015  doi: 10.1021/acs.cgd.5b00185
Peer-reviewed publications in international events
[4-KH15] [Add to your selection]
Driving forces of co-crystallization – “in silico” vs experimental screening
Liudmila Kuleshova, Detlef W.M. Hofmann
23rd Annual Conference of the German Crystallographic Society (DGK) - 2015
[4-KH15] [Add to your selection]
Driving forces of co-crystallization: “in silico” vs experimental screening
Liudmila Kuleshova, Detlef W.M. Hofmann
Theobio2015, 7th International Theoretical Biophysics Symposium, Cagliari, June 8-12 - 2015
[4-HKB15] [Add to your selection]
6th Blind Test of Crystal Structure Prediction
Detlef W.M. Hofmann, Liudmila Kuleshova, Adrian D. Boese
Crystallographic Data Centre of Cambridge - november 2015
 
Publications en 2014
Peer-reviewed publications in International Journals
[2-HK14] [Add to your selection]
Are crystal phase diagrams predictable with Force Field? Case of Benzene polymorphs
Detlef W.M. Hofmann, Liudmila Kuleshova
Crystal Growth and Design pubs.ACS pages 3929--3934 vol. 14 num. 4 - july 2014  doi: 10.1021/cg500511p
 
Publications en 2013
Books and Book Chapters
[1-HKF13] [Add to your selection]
INTERMOLECULAR INTERACTIONS IN CRYSTALS: VIA EXPERIMENT AND THEORY TO INDUSTRIAL APPLICATION. INTERNATIONAL CONFERENCE [Download PDF version]
Detlef W.M. Hofmann, Liudmila Kuleshova, Emanuela Falqui
Building 1, Science and Technology Park Polaris - Piscina Manna, 09010 Pula (CA) - ITALY - april 2013

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