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Page 1
Wavefunction-Based Electrostatic-Embedding QM/MM Using CFOUR through MiMiC.
Kirsch T, Olsen JMH, Bolnykh V, Meloni S, Ippoliti E, Rothlisberger U, Cascella M, Gauss J. Kirsch T, et al. Among authors: bolnykh v. J Chem Theory Comput. 2022 Jan 11;18(1):13-24. doi: 10.1021/acs.jctc.1c00878. Epub 2021 Dec 14. J Chem Theory Comput. 2022. PMID: 34905353
MiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry.
Olsen JMH, Bolnykh V, Meloni S, Ippoliti E, Bircher MP, Carloni P, Rothlisberger U. Olsen JMH, et al. Among authors: bolnykh v. J Chem Theory Comput. 2019 Jun 11;15(6):3810-3823. doi: 10.1021/acs.jctc.9b00093. Epub 2019 May 6. J Chem Theory Comput. 2019. PMID: 30998344
Extreme Scalability of DFT-Based QM/MM MD Simulations Using MiMiC.
Bolnykh V, Olsen JMH, Meloni S, Bircher MP, Ippoliti E, Carloni P, Rothlisberger U. Bolnykh V, et al. J Chem Theory Comput. 2019 Oct 8;15(10):5601-5613. doi: 10.1021/acs.jctc.9b00424. Epub 2019 Sep 25. J Chem Theory Comput. 2019. PMID: 31498615
Molecular Basis of CLC Antiporter Inhibition by Fluoride.
Chiariello MG, Bolnykh V, Ippoliti E, Meloni S, Olsen JMH, Beck T, Rothlisberger U, Fahlke C, Carloni P. Chiariello MG, et al. Among authors: bolnykh v. J Am Chem Soc. 2020 Apr 22;142(16):7254-7258. doi: 10.1021/jacs.9b13588. Epub 2020 Apr 9. J Am Chem Soc. 2020. PMID: 32233472
MiMiC: Multiscale Modeling in Computational Chemistry.
Bolnykh V, Olsen JMH, Meloni S, Bircher MP, Ippoliti E, Carloni P, Rothlisberger U. Bolnykh V, et al. Front Mol Biosci. 2020 Mar 20;7:45. doi: 10.3389/fmolb.2020.00045. eCollection 2020. Front Mol Biosci. 2020. PMID: 32266290 Free PMC article. No abstract available.
Recent Advances in First-Principles Based Molecular Dynamics.
Mouvet F, Villard J, Bolnykh V, Rothlisberger U. Mouvet F, et al. Among authors: bolnykh v. Acc Chem Res. 2022 Feb 1;55(3):221-230. doi: 10.1021/acs.accounts.1c00503. Epub 2022 Jan 13. Acc Chem Res. 2022. PMID: 35026115 Free article.
A universal co-solvent dilution strategy enables facile and cost-effective fabrication of perovskite photovoltaics.
Zhang H, Darabi K, Nia NY, Krishna A, Ahlawat P, Guo B, Almalki MHS, Su TS, Ren D, Bolnykh V, Castriotta LA, Zendehdel M, Pan L, Alonso SS, Li R, Zakeeruddin SM, Hagfeldt A, Rothlisberger U, Di Carlo A, Amassian A, Grätzel M. Zhang H, et al. Among authors: bolnykh v. Nat Commun. 2022 Jan 10;13(1):89. doi: 10.1038/s41467-021-27740-4. Nat Commun. 2022. PMID: 35013272 Free PMC article.
Author Correction: A universal co-solvent dilution strategy enables facile and cost-effective fabrication of perovskite photovoltaics.
Zhang H, Darabi K, Nia NY, Krishna A, Ahlawat P, Guo B, Almalki MHS, Su TS, Ren D, Bolnykh V, Castriotta LA, Zendehdel M, Pan L, Alonso SS, Li R, Zakeeruddin SM, Hagfeldt A, Rothlisberger U, Di Carlo A, Amassian A, Grätzel M. Zhang H, et al. Among authors: bolnykh v. Nat Commun. 2022 Dec 13;13(1):7726. doi: 10.1038/s41467-022-35132-5. Nat Commun. 2022. PMID: 36513628 Free PMC article. No abstract available.