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Todorov, Ilian T
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1

Data on the intermolecular interactions of 1,1,1,2-tetraflu..:

Yong, Chin W. ; Barron, Vivian Walter ; Slowey, Alex...
Data in Brief.  50 (2023)  - p. 109485 , 2023
Link: https://doi.org/10.1016/..
 
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2

Interactive molecular dynamics in virtual reality for model..:

Crossley-Lewis, Joe ; Dunn, Josh ; Buda, Corneliu...
Journal of Molecular Graphics and Modelling.  125 (2023)  - p. 108606 , 2023
Link: https://doi.org/10.1016/..
 
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3

Comparison between the intermolecular interactions in the l..:

Barron, Vivian Walter ; Yong, Chin W. ; Slowey, Alex...
Journal of Molecular Liquids.  383 (2023)  - p. 121993 , 2023
Link: https://doi.org/10.1016/..
 
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4

The structural pathway from its solvated molecular state to..:

Rosbottom, Ian ; Turner, Thomas D. ; Ma, Cai Y....
Faraday Discussions.  235 (2022)  - p. 467-489 , 2022
Link: https://doi.org/10.1039/..
 
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5

Triglycine (GGG) Adopts a Polyproline II (pPII) Conformatio..:

Guo, Mingxia ; Rosbottom, Ian ; Zhou, Lina...
The Journal of Physical Chemistry Letters.  12 (2021)  34 - p. 8416-8422 , 2021
Link: https://doi.org/10.1021/..
 
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6

Pragmatic Interoperability and Translation of Industrial En..:

, In: Communications in Computer and Information Science; Data Analytics and Management in Data Intensive Domains,
Horsch, Martin T. ; Chiacchiera, Silvia ; Seaton, Michael A.... - p. 45-59 , 2021
Link: https://doi.org/10.1007/..
 
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7

Ontologies for the Virtual Materials Marketplace:

Horsch, Martin Thomas ; Chiacchiera, Silvia ; Seaton, Michael A....
KI - Künstliche Intelligenz.  34 (2020)  3 - p. 423-428 , 2020
Link: https://doi.org/10.1007/..
 
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8

Dissipative particle dynamics: dissipative forces from atom..:

Sokhan, Vlad P. ; Todorov, Ilian T.
Molecular Simulation.  47 (2019)  2-3 - p. 248-256 , 2019
Link: https://doi.org/10.1080/..
 
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9

Semantic Interoperability and Characterization of Data Prov..:

Horsch, Martin Thomas ; Niethammer, Christoph ; Boccardo, Gianluca...
Journal of Chemical & Engineering Data.  65 (2019)  3 - p. 1313-1329 , 2019
Link: https://doi.org/10.1021/..
 
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10

Domain decomposition of the two-temperature model in DL_POL..:

Seaton, Michael A. ; Todorov, Ilian T. ; Daraszewicz, Szymon L...
Molecular Simulation.  47 (2018)  2-3 - p. 180-187 , 2018
Link: https://doi.org/10.1080/..
 
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11

Molecular dynamics study of CO2 absorption and desorption i..:

Gao, Min ; Misquitta, Alston J. ; Yang, Chenxing...
Molecular Systems Design & Engineering.  2 (2017)  4 - p. 457-469 , 2017
Link: https://doi.org/10.1039/..
 
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12

Advanced Potential Energy Surfaces for Molecular Simulation:

Albaugh, Alex ; Boateng, Henry A. ; Bradshaw, Richard T....
The Journal of Physical Chemistry B.  120 (2016)  37 - p. 9811-9832 , 2016
Link: https://doi.org/10.1021/..
 
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13

Order parameter and connectivity topology analysis of cryst..:

Archer, Adam ; Foxhall, Henry R ; Allan, Neil L...
Journal of Physics: Condensed Matter.  26 (2014)  48 - p. 485011 , 2014
Link: https://doi.org/10.1088/..
 
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14

Novel potentials for modelling defect formation and oxygen ..:

Gunn, David S. D. ; Allan, Neil L. ; Foxhall, Henry...
Journal of Materials Chemistry.  22 (2012)  11 - p. 4675 , 2012
Link: https://doi.org/10.1039/..
 
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15

Molecular dynamics simulation of oxide thin film growth: Im..:

Georgieva, Violeta ; Todorov, Ilian T. ; Bogaerts, Annemie
Chemical Physics Letters.  485 (2010)  4-6 - p. 315-319 , 2010
Link: https://doi.org/10.1016/..
 
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