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2022
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Density functional theory study on the initial reactions of d-Xylose and d-Xylulose dehydration to furfural

Fang, Xiaowei ; Andersson, Martin P ; Wang, Ze ; Song, Wenli ; Li, Songgeng
in: Carbohydrate Research, vol: 511

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2022     |    DOI: https://doi.org/10.1016/j.carres.2021.108463

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Quantum computing for chemical and biomolecular product design

Andersson, Martin P. ; Jones, Mark N. ; Mikkelsen, Kurt V. ; You, Fengqi ; Mansouri, Seyed Soheil
in: Current Opinion in Chemical Engineering, vol: 36

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2022     |    DOI: https://doi.org/10.1016/j.coche.2021.100754

2021
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A density functional theory study of Fe(II)/Fe(III) distribution in single layer green rust: a cluster approach

Sun, Weichao ; Tobler, Dominique J. ; Andersson, Martin P
in: Geochemical Transactions, vol: 22, issue: 1

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2021     |    DOI: https://doi.org/10.1186/s12932-021-00076-0

 

Adsorption of nitrogen heterocyclic compounds (NHC) on soil minerals: Quinoline as an example

Okhrimenko, D. V. ; Lakshtanov, L. Z. ; Olsson, M. H.M. ; Ceccato, M. ; Dalby, K. N. ; Andersson, M. P. ; Stipp, S. L.S.
in: Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol: 611

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2021     |    DOI: https://doi.org/10.1016/j.colsurfa.2020.125899

 

An uncertainty-aware hybrid modelling approach using probabilistic machine learning

Nielsen, Rasmus Fjordbak ; Nazemzadeh, Nima ; Andersson, Martin Peter ; Gernaey, Krist V. ; Mansouri, Seyed Soheil
part of: Proceedings of the 31th European Symposium on Computer Aided Process Engineering (ESCAPE30), pages: 591-597 , 2021, Amsterdam
Presented at:
31st European Symposium on Computer Aided Process Engineering (ESCAPE 31)

Type: Article in proceedings (Peer reviewed)

Status: Published     |    År: 2021     |    DOI: https://doi.org/10.1016/B978-0-323-88506-5.50094-2

 

Building Knowledge Capacity for Quantum Computing in Engineering Education

Carberry, Deborah ; Nourbakhsh, Amirhossein ; Karon, Jay ; Jones, Mark N. ; Jadidi, Mojgan ; Shahriari, Kyarash ; Beenfeldt, Christian ; Andersson, Martin Peter ; Mansouri, Seyed Soheil
part of: Proceedings of the 31th European Symposium on Computer Aided Process Engineering (ESCAPE30), pages: 2065-2070, 2021, Amsterdam
Presented at:
31st European Symposium on Computer Aided Process Engineering (ESCAPE 31)

Type: Article in proceedings (Peer reviewed)

Status: Published     |    År: 2021     |    DOI: https://doi.org/10.1016/B978-0-323-88506-5.50319-3

 

Fault Diagnosis of Chemical Processes based on Joint Recurrence Quantification Analysis

Ziaei-Halimejani, Hooman ; Nazemzadeh, Nima ; Zarghami, Reza ; Gernaey, Krist V. ; Andersson, Martin Peter ; Mansouri, Seyed Soheil ; Mostoufi, Navid
in: Computers and Chemical Engineering, vol: 155

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2021     |    DOI: https://doi.org/10.1016/j.compchemeng.2021.107549

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First-principles prediction of critical micellar concentrations for ionic and nonionic surfactants

Turchi, M. ; Karcz, A. P. ; Andersson, M.P.
in: Journal of Colloid and Interface Science, vol: 606, pages: 618-627

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2021     |    DOI: https://doi.org/10.1016/j.jcis.2021.08.044

 

Implementation of first-principles surface interactions in a hybrid machine learning assisted modelling of flocculation

Nazemzadeh, Nima ; Nielsen, Rasmus Fjordbak ; Gernaey, Krist V. ; Mansouri, Seyed Soheil ; Andersson, Martin P.
part of: Proceedings of the 31th European Symposium on Computer Aided Process Engineering (ESCAPE30), pages: 845-850, 2021, Amsterdam
Presented at:
31st European Symposium on Computer Aided Process Engineering (ESCAPE 31)

Type: Article in proceedings (Peer reviewed)

Status: Published     |    År: 2021     |    DOI: https://doi.org/10.1016/B978-0-323-88506-5.50132-7

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Molecular tracking: A concept for side-draw distillation column design

Nazemzadeh, Nima ; Udugama, Isuru A. ; Karcz, Adam Paul ; Andersson, Martin P. ; Abildskov, Jens ; Mansouri, Seyed Soheil
in: AIChE Journal, pages: e17070

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2021     |    DOI: https://doi.org/10.1002/aic.17070