From post

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed.

 

Другие публикации лиц с тем же именем

Insights into the Charge-Transfer Mechanism of Organic Photovoltaics: Effect of Domain Size, , и . The Journal of Physical Chemistry C, 122 (30): 17024--17034 (июля 2018)ParaMol: A Package for Automatic Parameterization of Molecular Mechanics Force Fields., , , , , и . J. Chem. Inf. Model., 61 (4): 2026-2047 (2021)Natural bond orbital analysis in the ONETEP code: Applications to large protein systems., , , и . J. Comput. Chem., 34 (6): 429-444 (2013)Materials and Molecular Modeling at the Exascale., , , , , , , , , и 7 other автор(ы). Comput. Sci. Eng., 24 (1): 36-45 (2022)Optimised three-dimensional Fourier interpolation: An analysis of techniques and application to a linear-scaling density functional theory code., , , и . Comput. Phys. Commun., (2015)Porting ONETEP to graphical processing unit-based coprocessors. 1. FFT box operations., и . J. Comput. Chem., 34 (28): 2446-2459 (2013)Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins., , , , и . J. Chem. Inf. Model., 63 (9): 2810-2827 (мая 2023)The Role of Electrostatics in Enzymes: Do Biomolecular Force Fields Reflect Protein Electric Fields?, , , и . J. Chem. Inf. Model., 60 (6): 3131-3144 (2020)Linear-scaling density-functional theory with tens of thousands of atoms: Expanding the scope and scale of calculations with ONETEP., , , , и . Comput. Phys. Commun., 180 (7): 1041-1053 (2009)Interrogation of the Protein-Protein Interactions between Human BRCA2 BRC Repeats and RAD51 Reveals Atomistic Determinants of Affinity., , , , , , , и . PLoS Comput. Biol., (2011)