About
Dr. Jacek Dziedzic is a Senior Research Fellow in the group of Chris-Kriton Skylaris. He works on linear-scaling density functional theory. He is one of the authors and developers of the ONETEP computer code.
Research
Research groups
Member of:
Current research
Jacek Dziedzic works on linear-scaling density functional theory (O(N)-DFT), and in particular, on the ONETEP approach in the group of Chris-Kriton Skylaris. He is one of the authors and developers of the ONETEP computer code. His main areas of interest are implicit solvation methods, Hartree-Fock exchange and QM/MM methods using polarizable force-fields.
Publications
28 publications
Page 1 of 3
Szymon Winczewski,
Jacek Dziedzic,
Tadeusz Miruszewski,
Jarosław Rybicki,
& Maria Gazda
, 2022
, The Journal of Physical Chemistry C
, 126 (43) , 18439--18465
Type: article
Chao Peng,
Jacek Dziedzic,
John R. Owen,
Denis Kramer,
, 2022
, Journal of Materials Chemistry A
, 10 (21) , 11426--11436
DOI: 10.1039/d2ta02420a
Type: article
Jacek Dziedzic,
James C Womack,
Rozh Ali,
, 2021
, The Journal of Chemical Physics
, 155 (22)
DOI: 10.1063/5.0067781
Type: article
Chao Peng,
Jacek Dziedzic,
Lucian Anton,
John R. Owen,
Denis Kramer,
, 2021
, The Journal of Chemical Physics
, 155 (2)
DOI: 10.1063/5.0056514
Type: article
Chao Peng,
Jacek Dziedzic,
John R. Owen,
& Denis Kramer
, 2021
, Journal of Materials Chemistry A
, 9 (31) , 16798--16804
DOI: 10.1039/D1TA03447B
Type: article
Lucian Anton,
Jacek Dziedzic,
Chao Peng,
Denis Kramer,
, 2020
, The Journal of Chemical Physics
, 153 (12)
DOI: 10.1063/5.0021210
Type: article
Joseph C.A. Prentice,
Jolyon Aarons,
James C. Womack,
Alice E.A. Allen,
Lampros Andrinopoulos,
Lucian Anton,
Robert A. Bell,
Gabriel A. Bramley,
Robert J. Charlton,
Rebecca J. Clements,
Daniel J. Cole,
Gabriel Constantinescu,
Fabiano Corsetti,
Simon M.M. Dubois,
Kevin K.B. Duff,
José María Escartín,
Andrea Greco,
Quintin Hill,
Louis P. Lee,
Edward Linscott,
David D. O'Regan,
Maximillian J.S. Phipps,
Laura E. Ratcliff,
Álvaro Ruiz Serrano,
Edward W. Tait,
Gilberto Teobaldi,
Valerio Vitale,
Nelson Yeung,
Tim J. Zuehlsdorff,
Jacek Dziedzic,
Peter D. Haynes,
Nicholas D.M. Hine,
Arash A. Mostofi,
Mike C. Payne,
, 2020
, The Journal of Chemical Physics
, 152 (17)
DOI: 10.1063/5.0004445
Type: article
The role of electrostatics in enzymes: do biomolecular force fields reflect protein electric fields?
Richard Bradshaw,
Jacek Dziedzic,
, 2020
, Journal of Chemical Information and Modeling
, 60 (6) , 3131--3144
Type: article
Jacek Dziedzic,
Lucian Anton,
Chao Peng,
James C Womack,
Marjan Famili,
Denis Kramer,
, 2020
, The Journal of Physical Chemistry C
, 124 (14) , 7860--7872
Type: article
Szymon Winczewski,
Jacek Dziedzic,
& Jarosław Rybicki
, 2019
, Computational Materials Science
, 166 , 57--74
Type: article