C. Pickard
发表
Stefano de Gironcoli,
D. Hamann,
A. Tkatchenko,
2016,
Science.
Chris J Pickard,
Yu Xie,
Jérôme Cuny,
2016,
Journal of chemical theory and computation.
Chris J. Pickard,
Andrew J. Morris,
A. J. Morris,
2016
.
C. Pickard,
Andrew T. Fowler,
J. Elliott,
2018,
Journal of Physics: Materials.
Chris J Pickard,
R J Needs,
R. Needs,
2011,
Journal of physics. Condensed matter : an Institute of Physics journal.
M. Payne,
C. Pickard,
J. A. White,
2000
.
F. Mauri,
C. Pickard,
I. Farnan,
2005,
The journal of physical chemistry. B.
Matt Probert,
Chris J. Pickard,
Matthew D. Segall,
2005
.
Volker L. Deringer,
Gábor Csányi,
Volker L Deringer,
2017,
Physical review letters.
Chris J Pickard,
R. Needs,
C. Pickard,
2015,
Proceedings of the National Academy of Sciences.
C. Pickard,
J. Whaley-Baldwin,
Jack Whaley-Baldwin,
2022,
Physical Review B.
Chris J Pickard,
R J Needs,
R. Needs,
2009,
Physical review letters.
Yanming Ma,
Yanwei Huang,
Francesco Mauri,
2015,
1508.03900.
John M. Griffin,
Christian Bonhomme,
Thierry Azaïs,
2012,
Chemical reviews.
J. Yates,
C. Pickard,
R. Harris,
2009
.
M. Payne,
J. Yates,
F. Mauri,
2003
.
R. Needs,
C. Pickard,
M. Mezouar,
2016,
Nature chemistry.
C. Pickard,
J. Cuny,
R. Gautier,
2013,
Inorganic chemistry.
Gábor Csányi,
A. Bartók,
C. Pickard,
2017,
Physical Chemistry, Chemical Physics - PCCP.
C. V. Chandran,
C. Pickard,
J. Cuny,
2010,
Journal of magnetic resonance.
C. Pickard,
A. Rode,
J. Williams,
2014,
2014 International Conference Laser Optics.
R. Needs,
C. Pickard,
2016
.
Yanming Ma,
Francesco Mauri,
Chris J Pickard,
2015,
Physical review letters.
C. Pickard,
V. Kresin,
Hao 昊 Song 宋,
2021,
Chinese Physics Letters.
Xiaoli Huang,
T. Cui,
C. Pickard,
2020,
The journal of physical chemistry letters.
Alexander C. Forse,
A. Bartók,
C. Pickard,
2020,
Physical chemistry chemical physics : PCCP.
Yanming Ma,
Jian Lv,
Chris J Pickard,
2012,
Physical review letters.
M. Deschamps,
C. Pickard,
B. Bureau,
2015,
Physical chemistry chemical physics : PCCP.
Jian Lv,
Yanchao Wang,
Yanming Ma,
2012,
1206.5668.
R. Needs,
C. Pickard,
2009,
Journal of physics. Condensed matter : an Institute of Physics journal.
C. Pickard,
A. Hermann,
L. Conway,
2020,
2011.13285.
C. Pickard,
J. Zhong,
Tao Ouyang,
2019,
Physical Review B.
C. Pickard,
E. Zurek,
J. Autschbach,
2008
.
A. Michaelides,
C. Pickard,
Ji Chen,
2015
.
R. Needs,
B. Monserrat,
C. Pickard,
2018,
Physical review letters.
C. Pickard,
Y. Meng,
J. Rondinelli,
2020,
Journal of the American Chemical Society.
R. Needs,
C. Pickard,
M. Martinez-Canales,
2012,
Physical review letters.
C. Pickard,
2020
.
A. Michaelides,
C. Pickard,
Andrea Zen,
2021,
2110.14569.
Graphite intercalation compounds under pressure : A first-principles density functional theory study
R. Needs,
Gábor Csányi,
C. Pickard,
2007
.
C. Pickard,
Bingqing Cheng,
A. Reinhardt,
2019,
Physical chemistry chemical physics : PCCP.
Yanming Ma,
C. Pickard,
Quan Li,
2019,
Physical chemistry chemical physics : PCCP.
J. Yates,
C. Pickard,
B. Winkler,
2013,
Journal of physics. Condensed matter : an Institute of Physics journal.
C. Pickard,
2022,
Physical Review B.
First-principles calculations of solid-state (17)O and (29)Si NMR spectra of Mg(2)SiO(4) polymorphs.
C. Pickard,
S. Ashbrook,
I. Farnan,
2007,
Physical chemistry chemical physics : PCCP.
A. J. Morris,
E. Salager,
R. Needs,
2013,
1305.6265.
R. Needs,
D. Klug,
C. Pickard,
2016,
1609.09595.
Claire S. Adjiman,
Julio C. Facelli,
Sanjaya Lohani,
2016,
Acta crystallographica Section B, Structural science, crystal engineering and materials.
J. Yates,
C. Pickard,
R. Harris,
2007,
Magnetic resonance in chemistry : MRC.
Yanming Ma,
G. Zou,
C. Pickard,
2013,
1309.2169.
R. Needs,
C. Pickard,
M. Martinez-Canales,
2013,
Physical review letters.
Yanming Ma,
Chris J Pickard,
Li Zhu,
2013,
Nature chemistry.
Yanming Ma,
Francesco Mauri,
Chris J. Pickard,
2016,
Nature.
Yanming Ma,
Ying Sun,
Feng Peng,
2017,
Physical review letters.
R. Needs,
C. Pickard,
2006,
Physical review letters.
R. Hemley,
C. Pickard,
M. Miao,
2021,
2109.09305.
H. Mao,
R. Needs,
C. Pickard,
2014,
Nature Communications.
C. Pickard,
Z. Shen,
C. A. Howard,
2014,
Nature Communications.
F. Mauri,
C. Pickard,
2001,
Physical review letters.
R. Needs,
D. Klug,
C. Pickard,
2017
.
A. J. Morris,
E. Salager,
M. Morcrette,
2011,
Angewandte Chemie.
E. Salager,
C. Pickard,
G. Day,
2010,
Journal of the American Chemical Society.
R. Needs,
C. Pickard,
M. Martinez-Canales,
2012
.
A. Michaelides,
C. Pickard,
Andrea Zen,
2021,
Nature.
G. Ackland,
C. Pickard,
E. Gregoryanz,
2022,
The journal of physical chemistry letters.
B. Monserrat,
C. Pickard,
2019,
Nature.
Jian Lv,
Yanchao Wang,
Yanming Ma,
2012,
1206.5668.
Chris J. Pickard,
Richard J. Needs,
R. Needs,
2007
.
C. Pickard,
Cong Liu,
Jian Sun,
2022,
Research.
R. Needs,
C. Pickard,
2009,
Physical review letters.
F. Mauri,
C. Pickard,
2003,
Physical review letters.
F. Mauri,
C. Pickard,
2001,
cond-mat/0101257.
A. J. Morris,
J. Yates,
C. Pickard,
2014
.
M. Payne,
C. Pickard,
D. Jayawardane,
2001
.
M. Payne,
C. Pickard,
L. M. Brown,
2001,
cond-mat/0101290.
C. Pickard,
T. van Mourik,
J. Woollins,
2009,
Chemistry.
C. Pickard,
Cong Liu,
Jian Sun,
2022
.
D. Jochym,
C. Pickard,
K. Refson,
2020
.
C. Pickard,
H. Kageyama,
Thibault Broux,
2019,
Journal of the American Chemical Society.
C. Pickard,
2018,
1801.01070.
M. Deschamps,
C. Pickard,
B. Bureau,
2014,
Physical chemistry chemical physics : PCCP.
C. Pickard,
V. Terskikh,
O. Lapina,
2013,
Physical chemistry chemical physics : PCCP.
J. Skepper,
C. Pickard,
Erika Davies,
2013
.
N. Browning,
C. Pickard,
Shang‐Peng Gao,
2010
.
E. Salager,
C. Pickard,
L. Emsley,
2009,
Physical chemistry chemical physics : PCCP.
I. Tanaka,
C. Pickard,
T. Mizoguchi,
2009,
Journal of physics. Condensed matter : an Institute of Physics journal.
C. Pickard,
S. Ashbrook,
R. Walton,
2008,
Physical chemistry chemical physics : PCCP.
C. Pickard,
E. Juarez-Arellano,
B. Winkler,
2008
.
J. Yates,
C. Pickard,
R. K. Jetti,
2007,
Physical chemistry chemical physics : PCCP.
Steven P. Brown,
J. Yates,
C. Pickard,
2019,
The journal of physical chemistry. A.
I. Stamatin,
E. Castro,
C. Pickard,
2006
.
Chris J Pickard,
R J Needs,
R. Needs,
2010,
Nature materials.
R. Needs,
C. Pickard,
2014,
Nature.
C. Pickard,
S. Ashbrook,
K. Johnston,
2011,
Physical chemistry chemical physics : PCCP.
R. Needs,
D. Klug,
C. Pickard,
2011,
Physical review letters.
Chris J Pickard,
Angelos Michaelides,
A. Michaelides,
2013,
Journal of physics. Condensed matter : an Institute of Physics journal.
Chris J. Pickard,
Richard J. Needs,
R. Needs,
2007
.
C. Pickard,
M. Bertmer,
S. Hayes,
2012
.
F. Mauri,
C. Pickard,
C. Gervais,
2005,
The journal of physical chemistry. A.
Steven P. Brown,
J. Yates,
F. Mauri,
2005,
Journal of the American Chemical Society.
F. Mauri,
C. Pickard,
T. Azaïs,
2004,
Magnetic resonance in chemistry : MRC.
A. Green,
C. Pickard,
Adam H. Walker,
2022,
2211.03717.
C. Pickard,
S. Ashbrook,
K. Johnston,
2009
.
C. Pickard,
A. Lesage,
L. Emsley,
2006,
Physical chemistry chemical physics : PCCP.
B. Monserrat,
C. Pickard,
Cong Liu,
2023,
Nature communications.
C. Pickard,
B. Shires,
2021,
Physical Review X.
Chris J. Pickard,
Mike C. Payne,
M. Payne,
1996
.
C. Pickard,
G. Thimm,
B. Winkler,
2004
.
T. Cui,
C. Pickard,
Hongyu Yu,
2020,
2011.11429.
C. Pickard,
Xiaolei Feng,
Simon A. T. Redfern,
2020,
2010.01469.
Matt Probert,
Chris J. Pickard,
Stewart J. Clark,
2002
.
H. Sakaebe,
C. Pickard,
H. Kageyama,
2017,
Inorganic chemistry.
Francesco Mauri,
Chris J. Pickard,
Jonathan R. Yates,
2007
.
Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test
Claire S. Adjiman,
Julio C. Facelli,
Constantinos C. Pantelides,
2011,
Acta crystallographica. Section B, Structural science.
Chris J Pickard,
Jonathan R Yates,
Sergio Lozano-Perez,
2014,
Advanced engineering materials.
J. Yates,
F. Mauri,
C. Pickard,
2007,
The Journal of chemical physics.
Alexander C. Forse,
C. Pickard,
Ziheng Lu,
2021,
Nature communications.
R. Needs,
C. Pickard,
N. Drummond,
2011,
Physical review letters.
Eva Zurek,
Chris J. Pickard,
Jochen Autschbach,
2008
.
C. Pickard,
B. Fontaine,
J. Cuny,
2011,
Physical chemistry chemical physics : PCCP.
G. Portella,
M. Payne,
V. Bajaj,
2010,
Journal of the American Chemical Society.
C. Pickard,
J. Cuny,
R. Gautier,
2015,
Inorganic chemistry.
B. Monserrat,
C. Pickard,
Diandian Wang,
2018,
Science Advances.
C. Pickard,
R. Gautier,
B. Perić,
2014,
Solid state nuclear magnetic resonance.
C. Pickard,
S. Ashbrook,
R. Walton,
2006,
Physical chemistry chemical physics : PCCP.
Artem R. Oganov,
Qiang Zhu,
Chris J. Pickard,
2019,
Nature Reviews Materials.
Jian Sun,
R. Needs,
C. Pickard,
2014,
Physical Review Materials.
C. Pickard,
D. Dawson,
S. Ashbrook,
2014,
Physical chemistry chemical physics : PCCP.
C. Pickard,
Ziheng Lu,
D. Scanlon,
2021,
APL Materials.
J. Skepper,
C. Pickard,
Erika Davies,
2014,
Proceedings of the National Academy of Sciences.
C. Pickard,
R. Harris,
L. Emsley,
2006,
Physical chemistry chemical physics : PCCP.
M. Tuckerman,
F. Mauri,
M. Benoit,
2005,
The journal of physical chemistry. B.
Francesco Mauri,
Chris J. Pickard,
Thibault Charpentier,
2004
.
C. Pickard,
B. Winkler,
V. Milman,
2003
.
C. Pickard,
S. Ashbrook,
J. Griffin,
2009
.
First-principles calculations of solid-state (17)O and (29)Si NMR spectra of Mg(2)SiO(4) polymorphs.
C. Pickard,
S. Ashbrook,
I. Farnan,
2007,
Physical chemistry chemical physics : PCCP.
J. Yates,
F. Mauri,
C. Pickard,
2010,
Magnetic resonance in chemistry : MRC.
J. Yates,
C. Pickard,
S. Brown,
2008,
Journal of the American Chemical Society.
J. Yates,
F. Mauri,
C. Pickard,
2005,
Physical chemistry chemical physics : PCCP.
Chris J. Pickard,
Jerome Cuny,
Sabri Messaoudi,
2008,
J. Comput. Chem..
C. Pickard,
J. Cuny,
R. Gautier,
2009,
Chemphyschem : a European journal of chemical physics and physical chemistry.
M. Segall,
J. Yates,
S. Clark,
2010
.
J. Yates,
C. Pickard,
I. Hung,
2009,
Journal of the American Chemical Society.
C. Pickard,
P. Bristowe,
M. Duer,
2008,
Physical chemistry chemical physics : PCCP.
C. Pickard,
J. A. White,
E. Akhmatskaya,
2001,
Acta crystallographica. Section B, Structural science.
Francesco Mauri,
Chris J Pickard,
F. Mauri,
2003,
Journal of the American Chemical Society.
F. Mauri,
C. Pickard,
M. Bernasconi,
2006
.
C. Pickard,
B. Winkler,
V. Milman,
2002
.
C. Pickard,
K. McKenna,
R. Ishikawa,
2021,
Nano letters.
Jesse S. Smith,
C. Pickard,
D. Daisenberger,
2018,
Inorganic chemistry.
F. Mauri,
C. Pickard,
E. Balan,
2003
.
C. Pickard,
H. Krautscheid,
J. Haase,
2013,
Inorganic chemistry.
C. Pickard,
B. Winkler,
V. Milman,
2000
.
F. Mauri,
C. Pickard,
E. Balan,
2003
.
C. Pickard,
J. A. White,
E. Akhmatskaya,
2000
.
R. Needs,
C. Pickard,
J. Nelson,
2021,
Physical Review Materials.
C. Pickard,
B. Bureau,
Kateryna Sykina,
2013,
Physical chemistry chemical physics : PCCP.
C. Pickard,
2020,
Electronic Structure.
F. Mauri,
M. Benoit,
C. Pickard,
2004,
Journal of the American Chemical Society.
Jesse S. Smith,
C. Pickard,
C. Childs,
2017,
1709.02516.
N Vast,
F. Mauri,
N. Vast,
2001,
Physical review letters.
D. Jochym,
C. Pickard,
K. Refson,
2020,
Physical Review Materials.
D. Jochym,
C. Pickard,
K. Refson,
2020
.
Jiao Y. Y. Lin,
C. Pickard,
Ming-Hsien Lee,
1999
.
R. Needs,
C. Pickard,
J. Nelson,
2018,
Physical Review B.
C. Pickard,
V. Milman,
A. Perlov,
2009,
Journal of physics. Condensed matter : an Institute of Physics journal.
M. Payne,
C. Pickard,
Jing Zhu,
2008
.
C. Pickard,
M. Uhrin,
G. Schusteritsch,
2016,
Nano letters.
C. Pickard,
J. A. White,
E. Akhmatskaya,
2000
.
M. Segall,
C. Pickard,
B. Winkler,
2001
.
J. Yates,
C. Pickard,
J. Griffin,
2008,
Journal of the American Chemical Society.
C. Pickard,
S. Ashbrook,
J. Readman,
2007,
Journal of the American Chemical Society.
Marie-Hélène Lemée-Cailleau,
Emmanuelle Suard,
R. Needs,
2009,
Journal of the American Chemical Society.
Chris J Pickard,
R J Needs,
R. Needs,
2008,
Nature materials.
P. Midgley,
C. Grey,
C. Pickard,
2021,
Nature Materials.
R. Needs,
R. Ahuja,
C. Pickard,
2011,
Physical Review Letters.
R. Needs,
C. Pickard,
J. Nelson,
2018,
Physical Review B.
C. Pickard,
C. Colliex,
É. Sandré,
2000
.
C. Pickard,
H. Kataura,
S. Iijima,
2001
.
R. Needs,
D. Klug,
C. Pickard,
2011,
Physical review letters.
R. Needs,
C. Pickard,
A. Misquitta,
2011,
The Journal of chemical physics.
R. Needs,
Jian Sun,
C. Pickard,
2020,
National science review.
R. Needs,
Jian Sun,
C. Pickard,
2020,
Physical Review X.
P. Littlewood,
Gábor Csányi,
C. Pickard,
2005
.
C. Pickard,
J. Burley,
L. Hughes,
2012,
Journal of pharmaceutical sciences.
J. Yates,
K. Roberts,
C. Pickard,
2005
.
Chris J Pickard,
Keith Refson,
Jonathan R Yates,
2014,
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.
Andrew J. Morris,
C. P. Grey,
A. J. Morris,
2014,
1402.6233.
Karena W. Chapman,
Chris J. Pickard,
Olaf J. Borkiewicz,
2015
.
R. Needs,
C. Pickard,
G. G. Griffiths,
2012
.
Edgar A. Engel,
R. Needs,
M. Ceriotti,
2018,
Nature Communications.
David J. Singh,
Yanming Ma,
R. Needs,
2015,
1510.04415.
B. Monserrat,
C. Pickard,
K. Trachenko,
2020,
Science Advances.
T. Cui,
C. Pickard,
Yansun Yao,
2021,
Physical review letters.
P. J. Hasnip,
C. J. Pickard,
P. Hasnip,
2006,
Comput. Phys. Commun..
Chris J Pickard,
R J Needs,
R. Needs,
2015,
Journal of physics. Condensed matter : an Institute of Physics journal.
Chris J. Pickard,
Jonathan R. Yates,
Andrew J. Morris,
2014,
Comput. Phys. Commun..
Chris J. Pickard,
Andrew J. Morris,
Jonathan R. Yates,
2012
.
E. Carter,
C. Pickard,
Vincent Cocula,
2005,
The Journal of chemical physics.
C. Pickard,
David Dubbink,
Evan Sheridan,
2021,
2104.13723.
C. Pickard,
A. Mysovsky,
A. Kimmel,
2017
.
C. Pickard,
A. Mysovsky,
A. Kimmel,
2016,
Physical chemistry chemical physics : PCCP.
F. Mauri,
J. Gale,
C. Pickard,
2005
.
H. Mao,
R. Needs,
C. Pickard,
2018,
1810.08766.
H. Mao,
R. Needs,
C. Pickard,
2021,
Nature Geoscience.
Paul F. McMillan,
Chris J. Pickard,
Richard J. Needs,
2016,
1605.02893.
Jianxin Zhong,
Tao Ouyang,
Chunxiao Zhang,
2018,
Physical review letters.
Chris J. Pickard,
Richard J. Needs,
R. Needs,
2015,
1508.02631.
Chris J. Pickard,
C. Pickard,
2019,
Physical Review B.
M. Ceriotti,
C. Pickard,
G. Mazzola,
2019,
Nature.
A. Michaelides,
C. Pickard,
Ji Chen,
2017,
Angewandte Chemie.
A. J. Morris,
C. Pickard,
A. Boldyrev,
2012,
Angewandte Chemie.
Edgar A. Engel,
M. Ceriotti,
C. Pickard,
2018,
Physical Review Materials.
A. Oganov,
C. Pickard,
V. Prakapenka,
2014,
The Journal of chemical physics.
L. Rapp,
C. Pickard,
A. Rode,
2015,
Nature Communications.
R. Needs,
C. Pickard,
Hai-Qing Lin,
2019,
Communications Chemistry.
C. Pickard,
Cong Liu,
Jian Sun,
2023,
Nature Communications.
R. Needs,
C. Pickard,
A. Mujica,
2017
.
Jesse S. Smith,
C. Pickard,
Eunja Kim,
2018,
Angewandte Chemie.
N. Fleck,
M. D. De Volder,
A. West,
2021,
APL Materials.
C. Pickard,
P. McMillan,
M. Mezouar,
2021
.
Michele Parrinello,
Michele Ceriotti,
Chris J Pickard,
2012,
Journal of the American Chemical Society.
P. Littlewood,
C. Pickard,
R. Ramesh,
2021,
npj Computational Materials.
C. Pickard,
E. Gregoryanz,
Philip Dalladay-Simpson,
2021,
The Journal of chemical physics.
M. Eremets,
C. Pickard,
I. Errea,
2019,
1910.00385.
R. Needs,
C. Pickard,
2010
.
B. Monserrat,
C. Pickard,
L. Conway,
2023,
2304.07326.
C. Pickard,
Hui Wang,
Hanyu Liu,
2023,
Nature Communications.
E. R. Margine,
Yanming Ma,
R. Hennig,
2021,
Journal of physics. Condensed matter : an Institute of Physics journal.
R. Needs,
C. Pickard,
M. Hutcheon,
2021,
Physical Review B.
R. Needs,
C. Pickard,
Mark S. Johnson,
2020,
2001.05305.
C. Grey,
C. Pickard,
F. Blanc,
2010,
Journal of magnetic resonance.
C. Pickard,
P. McMillan,
M. Mezouar,
2011
.
P. Littlewood,
Gábor Csányi,
C. Pickard,
2005,
cond-mat/0503569.
L. Boeri,
C. Pickard,
Christoph Heil,
2023,
2304.04447.
B. Monserrat,
G. Ackland,
C. Pickard,
2021,
The journal of physical chemistry letters.
T. Cui,
C. Pickard,
Shu-qing Jiang,
2020,
Physical review letters.
Xiaoli Huang,
Bingbing Liu,
T. Cui,
2019,
Nature Communications.
Chris J. Pickard,
Richard J. Needs,
R. Needs,
2009
.
R. Needs,
C. Pickard,
J. Nelson,
2017,
1702.00746.
E. Salager,
C. Pickard,
L. Emsley,
2007,
Journal of the American Chemical Society.
R. Needs,
B. Monserrat,
C. Pickard,
2014,
The Journal of chemical physics.
J. Yates,
F. Mauri,
A. M. Gil,
2010,
Physical chemistry chemical physics : PCCP.
C. Pickard,
Jean-Nicolas Dumez,
2009,
The Journal of chemical physics.
C. Pickard,
D. Dawson,
S. Ashbrook,
2019,
Journal of the American Chemical Society.
Volker L. Deringer,
Volker L Deringer,
Chris J Pickard,
2020,
Angewandte Chemie.
R. Needs,
B. Monserrat,
C. Pickard,
2015,
Nature Communications.
E. Wang,
A. Michaelides,
R. Needs,
2012,
Nature Communications.
M I McMahon,
G. Ackland,
C. Pickard,
2011,
Physical review letters.
C. Pickard,
S. Patchkovskii,
S. Un,
2005,
The Journal of chemical physics.
R. Needs,
C. Pickard,
E. Suard,
2009,
The Journal of chemical physics.
C. Pickard,
B. Winkler,
V. Milman,
2004,
Mineralogical Magazine.
C. Pickard,
Kui Yu,
M. Dove,
2019,
The Journal of Physical Chemistry C.
C. Pickard,
W. Witt,
C.-W. Tan,
2022,
The Journal of chemical physics.
R. Needs,
C. Pickard,
D. Xing,
2019,
Nature Physics.
A. J. Morris,
C. Grey,
C. Pickard,
2017,
Journal of the American Chemical Society.
Jesse S. Smith,
C. Pickard,
K. Glazyrin,
2021,
Physical Review B.
J. Yates,
C. Pickard,
2008
.
Chris J Pickard,
Angelos Michaelides,
Ji Chen,
2015,
Physical review letters.
Paul F. McMillan,
Cyril Szopa,
Christian Bonhomme,
2012
.
M. Segall,
C. Pickard,
B. Winkler,
2001
.
Chris J. Pickard,
Andrew J. Morris,
A. J. Morris,
2008,
0808.1203.
C. Pickard,
B. Fontaine,
J. Cuny,
2011
.
R. Needs,
C. Pickard,
A. Fortes,
2012,
The Journal of chemical physics.
Arash A. Mostofi,
Chris-Kriton Skylaris,
Chris J. Pickard,
2001,
cond-mat/0111322.
F. Mauri,
C. Pickard,
F. Babonneau,
2004
.
P. Sautet,
C. Pickard,
A. Lesage,
2009,
The journal of physical chemistry. A.
R. Needs,
C. Pickard,
2014,
1407.3369.
F. Mauri,
C. Pickard,
F. Babonneau,
2004
.
R. Needs,
C. Pickard,
Cong Liu,
2019,
Nature Physics.
Yanming Ma,
C. Pickard,
Siyu Lu,
2018,
Communications Chemistry.
A. M. Saitta,
C. Pickard,
Z. Raza,
2013,
Physical review letters.
R. Needs,
D. Klug,
C. Pickard,
2012,
Physical review letters.
T. Cui,
C. Pickard,
Hongyu Yu,
2021,
The journal of physical chemistry letters.
Yanchao Wang,
Yanming Ma,
R. Needs,
2015,
Physical review letters.
Paul Dumas,
Chris J. Pickard,
Mohamed Mezouar,
2014
.
Chris J Pickard,
Bartomeu Monserrat,
R J Needs,
2013,
Physical review letters.
Z. Ong,
C. Pickard,
G. Schusteritsch,
2020,
2004.07424.
Jesse S. Smith,
M. Kunz,
C. Pickard,
2020
.
C. Pickard,
J. Zhong,
Chaoyu He,
2018
.
C. Pickard,
G. Thimm,
B. Winkler,
2001
.
B. Monserrat,
C. Pickard,
R. Maezono,
2019,
Journal of Physics: Materials.
C. Pickard,
Bingqing Cheng,
S. Hamel,
2021,
Nature Physics.
R. Needs,
C. Pickard,
N. Drummond,
2010
.
Volker L. Deringer,
Gábor Csányi,
Volker L Deringer,
2018,
Faraday discussions.
C. Pickard,
Ravhi S Kumar,
J. Baker,
2021,
The journal of physical chemistry letters.
B. Monserrat,
C. Pickard,
S. Ashbrook,
2019,
Physical review letters.
Chris J Pickard,
Bartomeu Monserrat,
R. Needs,
2018,
Physical review letters.
Chris J. Pickard,
Richard J. Needs,
Bartomeu Monserrat,
2016,
1609.07486.
C. Pickard,
P. Lu,
J. MacManus‐Driscoll,
2019,
APL Materials.
Chris J. Pickard,
C. Pickard,
Georg Schusteritsch,
2014,
1407.2153.
C. Pickard,
P. McMillan,
S. Derenne,
2012
.
C. Pickard,
P. McMillan,
S. Derenne,
2012
.
Chris J. Pickard,
Peter Rez,
C. Pickard,
1999
.
Chris J. Pickard,
Andrew J. Morris,
C. P. Grey,
2011,
1201.4940.
C. Pickard,
G. Thimm,
B. Winkler,
1999
.
Michele Ceriotti,
Chris J. Pickard,
Richard J. Needs,
2018,
Nature Communications.
R. Needs,
C. Pickard,
R. J. Needs,
2007,
The Journal of chemical physics.
J. Yates,
K. Roberts,
C. Pickard,
2006,
Magnetic resonance in chemistry : MRC.
Chris J Pickard,
R J Needs,
R. Needs,
2011,
Physical review letters.
C. Pickard,
A. Rode,
B. Haberl,
2020,
2003.14039.
C. Pickard,
S. Joo,
Bonan Zhu,
2023,
2306.06475.
C. Pickard,
A. Hermann,
L. Conway,
2021,
Proceedings of the National Academy of Sciences.
C. Pickard,
Ziheng Lu,
D. Scanlon,
2021,
The Journal of chemical physics.
Chris J. Pickard,
Richard J. Needs,
R. Needs,
2012,
1204.3304.
C. Pickard,
E. Zurek,
J. Autschbach,
2007,
Journal of the American Chemical Society.
C. Pickard,
V. Kresin,
Hao Song,
2020,
2010.12225.
M. Ceriotti,
C. Pickard,
Bingqing Cheng,
2021,
Nature.
Yanming Ma,
R. Needs,
M. Calandra,
2015,
Nature.
R. Needs,
C. Pickard,
2010
.
Jian Sun,
C. Pickard,
D. Xing,
2021,
Chinese Physics Letters.
C. Pickard,
David Dubbink,
Evan Sheridan,
2021,
npj Computational Materials.
C. Pickard,
A. Rode,
B. Haberl,
2020
.
R. Needs,
Jian Sun,
C. Pickard,
2020
.
C. Pickard,
D. Dobson,
J. Brodholt,
2020,
Physics and Chemistry of Minerals.
C. Pickard,
M. Baias,
R. Mathew,
2020,
Magnetic resonance in chemistry : MRC.
Sebastian E. Ahnert,
Chris J. Pickard,
William P. Grant,
2017,
npj Computational Materials.
A. J. Morris,
C. Grey,
C. Pickard,
2017,
Journal of the American Chemical Society.
R. Needs,
C. Pickard,
J. Nelson,
2015,
Physical chemistry chemical physics : PCCP.
R. Needs,
R. Ahuja,
C. Pickard,
2012
.
Shah,
Payne,
M. Payne,
1996,
Physical review. B, Condensed matter.
C. Pickard,
E. Zurek,
J. Autschbach,
2009,
The journal of physical chemistry. A.
C. Pickard,
B. Walczak,
E. Zurek,
2006,
The journal of physical chemistry. A.
C. Pickard,
B. Fontaine,
J. Cuny,
2011
.
M. Payne,
C. Pickard,
2000
.
B. Monserrat,
C. Pickard,
I. Errea,
2023,
npj Computational Materials.
Field,
Payne,
M. Payne,
2000,
Physical review letters.
R. Needs,
C. Pickard,
2008,
Nature materials.
C. Pickard,
S. Joo,
Bonan Zhu,
2023,
The Journal of chemical physics.
B. Monserrat,
C. Pickard,
L. Conway,
2023,
Nature communications.
L. Boeri,
C. Pickard,
Christoph Heil,
2023,
Nature communications.
E. R. Margine,
Yanming Ma,
R. Hennig,
2021,
Journal of physics. Condensed matter : an Institute of Physics journal.
T. Cui,
C. Pickard,
Shu-qing Jiang,
2020,
Physical review letters.
P. Littlewood,
Gábor Csányi,
C. Pickard,
2005,
cond-mat/0503569.
C. Pickard,
E. Akhmatskaya,
B. Winkler,
2000
.
C. Pickard,
H. Krautscheid,
J. Haase,
2013,
Inorganic chemistry.
I. Stamatin,
E. Castro,
C. Pickard,
2006
.
C. Pickard,
Bingqing Cheng,
Jacob G. Lee,
2021,
The Journal of chemical physics.
R. Needs,
B. Monserrat,
C. Pickard,
2018,
Physical review letters.
R. Needs,
C. Pickard,
Y. Meng,
2021,
Science bulletin.