Dr Devis Di Tommaso

Senior Lecturer
Deputy Director of Graduate Studies
School of Physical and Chemical Sciences
Queen Mary University of London
Queen Mary University of London
Research
Computational chemistry, Theoretical catalysis, CO2 conversion, Machine learning, Nucleation and growth
Interests
Dr. Devis Di Tommaso is a Senior Lecturer at the School of Physical and Chemical Sciences at Queen Mary University of London. His research expertise includes:Development and application of computational chemistry techniques: Dr. Di Tommaso’s group focuses on employing computational chemistry to address various problems in Physical and Materials Chemistry.
Crystal nucleation and growth: A significant part of his research is dedicated to modeling the processes of crystal nucleation and growth of organic and inorganic materials from complex solutions.
Theoretical techniques: His work involves a range of theoretical methods, including electronic structure methods, first principles and classical dynamics, and continuum approaches1.
Supercomputing: Dr. Di Tommaso and his team make extensive use of supercomputing facilities to conduct their research.
Mineral Carbonation and CO2 Utilization: His group also investigates mineral carbonation with applications to CO2 utilization, aiming to convert CO2 into value-added chemicals and materials2.
Electrocatalytic reduction of CO2: They provide theoretical insights into the electrocatalytic reduction of CO2, which is crucial for environmental sustainability.
Solution thermodynamics: Bridging molecular and macroscopic models of solution thermodynamics is another area of focus2.
Dr. Di Tommaso’s work is highly interdisciplinary, combining elements of computational chemistry, materials science, and environmental studies to tackle some of the pressing issues related to materials synthesis and environmental sustainability. His contributions to the field are recognized through various publications and collaborative projects.
Publications

2024

Gutiérrez-León J, Carrero S, Di Tommaso D, Toroz D, Fernández-Martínez A, Tapia AA, Lozano A, Pérez-López R, Soler JM and Cama J
Chemical Geology, Elsevier
01-12-2024

Jeyachandran N, Yuan W, Li X, Muthuperiyanayagam A, Gardoni S, Feng J, Gao Q, Wilding M, Wells P, Di Tommaso D and Giordano C
Applied Materials Today, Elsevier vol. 41, 102466-102466.
09-10-2024

Lu T, Lin W, Guo Y, Shao M, Bai Y, Tommaso DD, Wang X and Zhang X
Journal of Colloid and Interface Science, Elsevier vol. 679 (Pt A), 705-713.
05-10-2024

Muthuperiyanayagam A and Di Tommaso D
Electrochimica Acta, Elsevier vol. 507, 145188-145188.
04-10-2024

Lin W, Palma M and Di Tommaso D
Molecular Catalysis, Elsevier vol. 569, 114591-114591.
02-10-2024

Li Q, Zhao Q, Pedersen A, Zhang M, Lin Z, Xu Y, Cullen PL, Sapelkin A, Di Tommaso D, Titirici M-M and Jones CR
Journal of Materials Chemistry A, Royal Society of Chemistry (Rsc) vol. 12 (41), 28074-28084.
26-09-2024

Zhao Q, Nishihara H, Crespo-Otero R and Di Tommaso D
Acs Applied Materials & Interfaces, American Chemical Society
20-09-2024

Wang J, Zhao Q, Li Z, Xiao Y, Zhang X, Zhong N, Zhao H, Jing L, Di Tommaso D, Crespo-Otero R, Kibria G and Hu J
Applied Catalysis B: Environment and Energy, Elsevier vol. 360, 124526-124526.
23-08-2024

Uddin AT, Zhao Q, Toroz D, Crespo-Otero R and Di Tommaso D
Molecular Catalysis, Elsevier vol. 565, 114386-114386.
17-07-2024

Sunahiro S, Pirabul K, Pan Z, Yoshii T, Hayasaka Y, Zhao Q, Crespo-Otero R, Di Tommaso D, Kyotani T and Nishihara H
Catalysis Today, Elsevier, 114763-114763.
26-04-2024

Anselmi M, Slabaugh G, Crespo-Otero R and Di Tommaso D
Digital Discovery, Royal Society of Chemistry (Rsc) vol. 3 (5), 1048-1057.
23-04-2024

Pirabul K, Zhao Q, Sunahiro S, Pan Z-Z, Yoshii T, Hayasaka Y, Hoi-Sing Pang E, Crespo-Otero R, Di Tommaso D, Kyotani T and Nishihara H
Green Chemistry, Royal Society of Chemistry (Rsc) vol. 26 (10), 6051-6062.
11-04-2024

Hanifan B, Jalil A, Ilyas SZ, Ghulam Nabi A and Di Tommaso D
Materials Advances, Royal Society of Chemistry (Rsc) vol. 5 (10), 4366-4377.
04-04-2024

Lin W, Nabi AG, Palma M and Di Tommaso D
Acs Applied Nano Materials, American Chemical Society (Acs)
29-02-2024

Wang J, Zhao Q, Kumar P, Zhao H, Jing L, Di Tommaso D, Crespo-Otero R, Kibria G and Hu J
Acs Catalysis, American Chemical Society (Acs) vol. 14 (5), 3376-3386.
16-02-2024

Zhao Q, Lei K, Xia BY, Crespo-Otero R and Di Tommaso D
Journal of Energy Chemistry, Elsevier vol. 93, 166-173.
06-02-2024
2023

Fei L, Wang M, Qiao M, Zhang Y, Wang A, Zhao Y, Liu J, Wang S, Guo X, Wang J, Bi J, Zhang P, Guo Z, Yue Y, Yuan J, Di Tommaso D, Li F and Ji Z
The Journal of Physical Chemistry B, American Chemical Society (Acs) vol. 128 (1), 208-221.
19-12-2023

Koskamp JA, Seepma SYMH, Peters VFD, Toroz D, Di Tommaso D and Wolthers M
Chemistry - a European Journal, Wiley vol. 30 (20), e202303860-e202303860.
08-12-2023

Meng X-Z, Li X-R, Li F, Yan H-J, Zhang Q-H, Wu L-K, Di Tommaso D and Cao F-H
Langmuir, American Chemical Society (Acs) vol. 39 (49), 17853-17861.
30-11-2023

Wang Z, Zhou Y, Qiu P, Xia C, Fang W, Jin J, Huang L, Deng P, Su Y, Crespo‐Otero R, Tian X, You B, Guo W, Di Tommaso D, Pang Y, Ding S and Xia BY
Advanced Materials, Wiley vol. 35 (52), e2303052-e2303052.
20-11-2023

Pirabul K, Zhao Q, Pan Z, Liu H, Itoh M, Izawa K, Kawai M, Crespo‐Otero R, Di Tommaso D and Nishihara H
Small, Wiley vol. 20 (16), e2306325-e2306325.
11-11-2023

Pirabul K, Zhao Q, Pan Z, Liu H, Itoh M, Izawa K, Kawai M, Crespo‐Otero R, Di Tommaso D and Nishihara H
Small, Wiley vol. 20 (16)
11-11-2023

Ingham M, Aziz A, Di Tommaso D and Crespo-Otero R
Materials Advances, Royal Society of Chemistry
06-10-2023

Mortazavi A, Song F, Dudman M, Evans M, Copcutt R, Romanelli G, Demmel F, Farrar DH, Parker SF, Tian KV, Di Tommaso D and Chass GA
Review of Scientific Instruments, American Institute of Physics vol. 94 (9)
01-09-2023

Prysyazhnyuk P and Di Tommaso D
Materials Advances, Royal Society of Chemistry (Rsc) vol. 4 (17), 3822-3838.
31-07-2023

Zhao Q, Crespo-Otero R and Di Tommaso D
Journal of Energy Chemistry, Elsevier vol. 85, 490-500.
06-07-2023

Qiao M, Wang M, Meng X, Zhu H, Zhang Y, Ji Z, Zhao Y, Liu J, Wang S, Guo X, Wang J, Bi J, Zhang P, Di Tommaso D, Li F and Yuan J
Journal of Molecular Liquids, Elsevier vol. 381
01-07-2023

Yuan W, Jeyachandran N, Rao T, Ghulam Nabi A, Bisetto M, Di Tommaso D, Montini T and Giordano C
Materials Letters, Elsevier vol. 341
16-03-2023

Guo Q, Zhao Q, Crespo-Otero R, Di Tommaso D, Tang J, Dimitrov SD, Titirici MM, Li X and Jorge Sobrido AB
Journal of The American Chemical Society, American Chemical Society
11-01-2023

Qiao M, Wang M, Meng X, Zhu H, Zhang Y, Ji Z, Zhao Y, Liu J, Wang S, Guo X, Wang J, Bi J, Zhang P, Di Tommaso D, Li F and Yuan J
Journal of Molecular Liquids, Elsevier vol. 373, 121238-121238.
11-01-2023

Di Tommaso D, Chass G and Toroz D
Goldschmidt2023 abstracts.
01-01-2023

Muthuperiyanayagam A, Nabi AG, Zhao Q, ur-Rehman A and Di Tommaso D
Physical Chemistry Chemical Physics, Royal Society of Chemistry
01-01-2023

Gutiérrez-León J, Carrero S, Pérez López R, Di Tommaso D, Toroz D, Soler J and Cama J
Goldschmidt2023 abstracts.
01-01-2023
2022

Nabi AG, Hussain A, Ur-Rehman A, Chass G and Di Tommaso D
Nanomaterials, Mdpi
24-12-2022

Nabi AG, Aman-ur-Rehman , Hussain A, Chass GA and Di Tommaso D
Nanomaterials, Mdpi vol. 13 (1)
24-12-2022

Song FV, Yang B, Di Tommaso D, Donnan RS, Chass GA, Yada RY, Farrar DH and Tian KV
Materials Advances, Royal Society of Chemistry vol. 3 (20), 7673-7673.
04-10-2022

Zhao Q, Yamamoto M, Yamazaki K, Nishihara H, Crespo-Otero R and Di Tommaso D
Physical Chemistry Chemical Physics, Royal Society of Chemistry vol. 24 (38), 23357-23366.
12-09-2022

Nabi AG, -ur-Rehman A, Hussain A and Di Tommaso D
Molecular Catalysis, Elsevier vol. 527, 112406-112406.
05-06-2022

Song FV, Yang B, Di Tommaso D, Donnan RS, Chass GA, Yada RY, Farrar DH and Tian KV
Materials Advances, Royal Society of Chemistry
16-05-2022

Toroz D, Song F, Uddin A, Chass GA and Di Tommaso D
Crystal Growth & Design, American Chemical Society (Acs) vol. 22 (5), 3080-3089.
05-04-2022

Yamamoto M, Zhao Q, Goto S, Gu Y, Toriyama T, Yamamoto T, Nishihara H, Aziz A, Crespo-Otero R, Di Tommaso D, Tamura M, Tomishige K, Kyotani T and Yamazaki K
Chemical Science, Royal Society of Chemistry
22-02-2022

Wang X, Clegg SL and Di Tommaso D
Journal of Chemical Physics, Aip Publishing vol. 156 (2)
14-01-2022

Toroz D, Song F, Chass GA and Di Tommaso D
Crystengcomm, Royal Society of Chemistry (Rsc) vol. 24 (43), 7686-7686.
01-01-2022
2021

Midgley SD, Di Tommaso D, Fleitmann D and Grau-Crespo R
Acs Earth and Space Chemistry
27-07-2021

Sunahiro S, Nomura K, Goto S, Kanamaru K, Tang R, Yamamoto M, Yoshii T, N. Kondo J, Zhao Q, Ghulam Nabi A, Crespo-Otero R, Di Tommaso D, Kyotani T and Nishihara H
Journal of Materials Chemistry A, Royal Society of Chemistry
01-06-2021

Li H, Gordeev G, Toroz D, Di Tommaso D, Reich S and Flavel BS
Journal of Physical Chemistry C vol. 125 (13), 7476-7487.
08-04-2021

Toroz D, Song FV, Chass GA and Di Tommaso D
Crystengcomm
10-03-2021
2020

Cove H, Toroz D and Di Tommaso D
Molecular Catalysis, Elsevier vol. 498
17-10-2020

Kim S, Wang X, Jang J, Eom K, Clegg SL, Park G and Di Tommaso D
Chemphyschem, Wiley vol. 21 (20), 2334-2346.
30-09-2020

Wang X, Toroz D, Kim S, Clegg SL, Park G-S and Di Tommaso D
Physical Chemistry Chemical Physics, Royal Society of Chemistry vol. 22 (28), 16301-16313.
22-07-2020

Yamamoto M, Takahashi K, Ohwada M, Wu Y, Iwase K, Hayasaka Y, Konaka H, Cove H, Di Tommaso D, Kamiya K, Maruyama J, Tani F and Nishihara H
Catalysis Today, Elsevier
17-07-2020
2019

Kim S, Jang J, Eom K, Di Tommaso D and Park G-S
2019 44th International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz) MAISON DE L A CHIMIE, PARIS 7e 1 Sep 2019 - 6 Sep 2019. vol. 00, 1-2.
21-10-2019

Koskamp JA, Ruiz-Hernandez SE, Di Tommaso D, Elena AM, De Leeuw NH and Wolthers M
The Journal of Physical Chemistry C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter, American Chemical Society
16-10-2019

Lozano A, Fernández-Martínez A, Ayora C, Di Tommaso D, Poulain A, Rovezzi M and Marini C
Environmental Science and Technology vol. 53 (19), 11153-11161.
22-08-2019

Balevičius Jr V, Wei T, Di Tommaso D, Abramavicius D, Hauer J, Polívka T and Duffy CDP
Chemical Science, Royal Society of Chemistry (Rsc)
02-04-2019

Honório T, Lemaire T, Tommaso DD and Naili S
Materialia, Elsevier Bv vol. 5, 100251-100251.
13-02-2019

Redivo L, Anastasiadi R-M, Pividori M, Berti F, Peressi M, Di Tommaso D and Resmini M
Phys Chem Chem Phys
15-01-2019

Zhang X, Alvarez-Lloret P, Chass GA and Di Tommaso D
GMDM 2018. vol. 31 (2), 275-287.
01-01-2019
2018

del Olmo L, DOMMETT M, Haga Oevreeide I, Walsh A, DI TOMMASO D and CRESPO OTERO R
Journal of Materials Chemistry A, Royal Society of Chemistry (48)
26-11-2018

Honorio T, Lemaire T, Di Tommaso D and Naili S
Computational Materials Science vol. 156, 26-34.
22-09-2018

Koishi A, Fernandez-Martinez A, Ruta B, Jimenez-Ruiz M, Poloni R, Di Tommaso D, Zontone F, Waychunas GA and Montes-Hernandez G
Journal of Physical Chemistry C vol. 122 (29), 16983-16991.
07-07-2018

GAINES E and DI TOMMASO D
Pharmaceutics, Mdpi Ag vol. 10 (1), 12-12.
23-01-2018
2017

Vo VS, Nguyen VH, Mahouche-Chergui S, Carbonnier B, Di Tommaso D and Naili S
Computational Materials Science vol. 139, 191-201.
01-11-2017

Jeong JY, Jang J, Patra A, Eom K, Park I, Yang Y, Kim S, Di Tommaso D and Park GS
2017 42nd International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz).
12-10-2017

Mancardi G, Hernandez Tamargo CE, Di Tommaso D and de Leeuw NH
J. Mater. Chem. B
21-07-2017

Prakash M, Lemaire T, Caruel M, Lewerenz M, de Leeuw NH, Di Tommaso D and Naili S
Physics and Chemistry of Minerals vol. 44 (7), 509-519.
01-07-2017

Di Tommaso D, Prakash M, Lemaire T, Lewerenz M, De Leeuw NH and Naili S
Crystals vol. 7 (2)
18-02-2017

Prakash M, Lemaire T, Di Tommaso D, de Leeuw N, Lewerenz M, Caruel M and Naili S
Applied Surface Science
07-02-2017
2016

Tian KV, Mahmoud MZ, Cozza P, Licoccia S, Fang D-C, Di Tommaso D, Chass GA and Greaves GN
Journal of Non-Crystalline Solids, Elsevier
07-07-2016

Gaines E, Maisuria K and Di Tommaso D
Crystengcomm, Royal Society of Chemistry (Rsc) vol. 18 (16), 2937-2948.
01-01-2016
2015

Tian T, Chass G and DI TOMMASO D
Physical Chemistry Chemical Physics, Royal Society of Chemistry
17-11-2015

Pham TT, Lemaire T, Capiez-Lernout E, Lewerenz M, To Q-D, Christie JK, Di Tommaso D, de Leeuw NH and Naili S
Theoretical Chemistry Accounts, Springer Nature vol. 134 (5)
16-04-2015
2014

Di Tommaso D and Watson KL
J Phys Chem A vol. 118 (46), 11098-11113.
20-11-2014

Di Tommaso D, Ruiz-Agudo E, de Leeuw NH, Putnis A and Putnis CV
Phys Chem Chem Phys vol. 16 (17), 7772-7785.
07-05-2014
2013

Christie JK, Ainsworth RI, Di Tommaso D and de Leeuw NH
J Phys Chem B vol. 117 (36), 10652-10657.
12-09-2013

DI TOMMASO D
Crystengcomm vol. 15, 6564-6577.
19-06-2013

Wolthers M, DI TOMMASO D, Du Z and de Leeuw NH
Crystengcomm vol. 15, 5506-5514.
30-05-2013

Haider S, Di Tommaso D and de Leeuw NH
Phys Chem Chem Phys vol. 15 (12), 4310-4319.
28-03-2013

Di Tommaso D
Crystengcomm, Royal Society of Chemistry (Rsc) vol. 15 (33), 6564-6577.
01-01-2013

DI TOMMASO D, Ainsworth RI, Tang E and de Leeuw NH
Journal of Material Chemistry B, Royal Society of Chemistry vol. 1, 5054-5066.
01-01-2013
2012

Ainsworth RI, Di Tommaso D, Christie JK and de Leeuw NH
J Chem Phys vol. 137 (23)
21-12-2012

Wolthers M, Di Tommaso D, Du Z and de Leeuw NH
Phys Chem Chem Phys vol. 14 (43), 15145-15157.
21-11-2012

Kilmartin J, Sarip R, Grau-Crespo R, DI TOMMASO D, Hogarth G, Prestipino C and Sankar G
Acs Catalysis, American Chemical Society vol. 2 (6), 957-963.
18-04-2012

DI TOMMASO D, Ruiz-Hernandez S, Du Z and de Leeuw NH
Rsc Advances vol. 2, 4664-4674.
10-04-2012

Chen H-YT, Di Tommaso D, Hogarth G and Catlow CRA
Dalton Trans vol. 41 (6), 1867-1877.
14-02-2012
2011

Ainsworth RI, Di Tommaso D and de Leeuw NH
J Chem Phys vol. 135 (23)
21-12-2011

Chen H-YT, Di Tommaso D, Hogarth G and Catlow CRA
Catalysis Letters, Springer Nature vol. 141 (12), 1761-1766.
04-10-2011

Chen H-YT, Di Tommaso D, Hogarth G and Catlow CRA
Dalton Trans vol. 40 (2), 402-412.
14-01-2011
2010

Tang E, Di Tommaso D and de Leeuw NH
Phys Chem Chem Phys vol. 12 (41), 13804-13815.
07-11-2010

DI TOMMASO D and de Leeuw NH
Crystal Growth and Design vol. 10, 4292-4302.
01-09-2010

Tang E, DI TOMMASO D and de Leeuw NH
Advanced Engineering Materials, Wiley Online vol. 12 (7), B331-B338.
22-07-2010

Ruiz-Agudo E, DI TOMMASO D, Putnis CV, de Leeuw NH and Putnis A
Cryst. Growth Des. vol. 10, 3022-3035.
04-06-2010

Di Tommaso D and de Leeuw NH
Phys Chem Chem Phys vol. 12 (4), 894-901.
28-01-2010

Di Tommaso D and de Leeuw NH
GEOCHIMICA ET COSMOCHIMICA ACTA. vol. 74 (12), A236-A236.
01-01-2010
2009

DI TOMMASO D and de Leeuw NH
Geochimica Et Cosmochimica Acta vol. 73, 5394-5405.
15-09-2009

Turchini S, Catone D, Contini G, Zema N, Irrera S, Stener M, Di Tommaso D, Decleva P and Prosperi T
Chemphyschem vol. 10 (11), 1839-1846.
03-08-2009

Catlow CRA, Hamad S, di Tommaso D, Sokol AA and Woodley SM
Cheminform, Wiley vol. 40 (29), no-no.
29-06-2009

Tang E, Di Tommaso D and de Leeuw NH
J Chem Phys vol. 130 (23)
21-06-2009

Di Tommaso D and de Leeuw NH
GEOCHIMICA ET COSMOCHIMICA ACTA. vol. 73 (13), A294-A294.
01-01-2009
2008

Di Tommaso D and de Leeuw NH
J Phys Chem B vol. 112 (23), 6965-6975.
12-06-2008

Di Tommaso D, French SA, Zanotti-Gerosa A, Hancock F, Palin EJ and Catlow CRA
Inorg Chem vol. 47 (7), 2674-2687.
07-04-2008

Wu X, Liu J, Di Tommaso D, Iggo JA, Catlow CRA, Bacsa J and Xiao J
Chemistry vol. 14 (25), 7699-7715.
01-01-2008

Di Tommaso D and de Leeuw N
GEOCHIMICA ET COSMOCHIMICA ACTA. vol. 72 (12), A219-A219.
01-01-2008
2007

Catlow CRA, Hamad S, Tommaso DD, Sokol AA and Woodley SM
In Turning Points in Solid-State, Materials and Surface Science, Royal Society of Chemistry (Rsc) 180-207.
30-11-2007

Catone D, Turchini S, Contini G, Zema N, Irrera S, Prosperi T, Stener M, Di Tommaso D and Decleva P
J Chem Phys vol. 127 (14)
14-10-2007

French SA, Di Tommaso D, Zanotti-Gerosa A, Hancock F and Catlow CRA
Chem Commun (Camb) (23), 2381-2383.
21-06-2007

DI TOMMASO D, French SA and Catlow CRA
Journal of Molecular Structure: Theochem vol. 812, 39-49.
27-02-2007
2006

Di Tommaso D, Stener M, Fronzoni G and Decleva P
Chemphyschem vol. 7 (4), 924-934.
10-04-2006

Stener M, Di Tommaso D, Fronzoni G, Decleva P and Powis I
J Chem Phys vol. 124 (2)
14-01-2006
2005

Di Tommaso D and Decleva P
J Chem Phys vol. 123 (6)
08-08-2005

Giardini A, Catone D, Stranges S, Satta M, Tacconi M, Piccirillo S, Turchini S, Zema N, Contini G, Prosperi T, Decleva P, Di Tommaso D, Fronzoni G, Stener M, Filippi A and Speranza M
Chemphyschem vol. 6 (6), 1164-1168.
13-06-2005
2004

Stener M, Fronzoni G, DI TOMMASO D and Decleva P
Journal of Chemical Physics vol. 120, 3284-3284.
15-02-2004
Grants


Devis Di Tommaso and Gregory Chass
£349,105 Leverhulme Trust
01-05-2024 - 30-09-2027

Devis Di Tommaso
£11,000 Royal Society
01-11-2023 - 31-10-2025

Devis Di Tommaso
£3,203 RSC The Royal Society of Chemistry
17-06-2024 - 09-08-2024

Alan Drew, Maria Crespo-Ribadeneyra, Annalisa Bruno, Devis Di Tommaso, Edo Boek, Mahdieh Sadabadi, Paul Balcombe and Christopher Jones
£26,500 British Council
01-04-2023 - 30-06-2024

Devis Di Tommaso
£2,495 RSC The Royal Society of Chemistry
01-07-2021 - 30-09-2021

Devis Di Tommaso and Rachel Crespo Otero
£11,600 Royal Society
18-03-2020 - 31-08-2023

Devis Di Tommaso and Gregory Chass
£384,000 EU European Commission - Other
01-10-2019 - 31-03-2023

Devis Di Tommaso
£1,680 RSC The Royal Society of Chemistry
18-06-2018 - 17-08-2018