Research Explorer

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Researcher

Andy Van Yperen-De Deyne

Awards & Distinctions

25 Results

2023

Hybrid static-sensory data modeling for prediction tasks in basic oxygen furnace process

Davi Alberto SalaAndy Van Yperen-De DeyneErik MannensAzarakhsh Jalalvand

A1 Journal Article in APPLIED INTELLIGENCE

Hybrid-input FCN-CNN-SE for industrial applications : classification of longitudinal cracks during continuous casting

Davi Alberto SalaAndy Van Yperen-De DeyneErik MannensAzarakhsh Jalalvand

A1 Journal Article in METALS

2022

An incremental grey-box current regression model for anomaly detection of resistance mash seam welding in steel mills

Dieter De PaepeAndy Van Yperen-De DeyneJana DefeverSofie Van Hoecke

A1 Journal Article in APPLIED SCIENCES-BASEL

2016

Ab initio study of the trapping of polonium on noble metals

Kim RijpstraAndy Van Yperen-De DeyneEA MaugeriJ NeuhausenMichel WaroquierVeronique Van SpeybroeckStefaan Cottenier

A1 Journal Article in JOURNAL OF NUCLEAR MATERIALS

Vibrational fingerprint of the absorption properties of UiO-type MOF materials

Andy Van Yperen-De DeyneKevin HendrickxLouis VanduyfhuysGerman SastrePascal Van Der VoortVeronique Van SpeybroeckKaren Hemelsoet

A1 Journal Article in THEORETICAL CHEMISTRY ACCOUNTS

2015

Binary and ternary po-containing molecules relevant for LBE cooled reactors at operating temperature

Andy Van Yperen-De DeyneKim RijpstraMichel WaroquierVeronique Van SpeybroeckStefaan Cottenier

A1 Journal Article in JOURNAL OF NUCLEAR MATERIALS

Determination of the nature of the Cu coordination complexes formed in the presence of NO and NH3 within SSZ-13

Ines Lezcano-GonzalezDavid S WraggWojciech A SlawinskiKaren HemelsoetAndy Van Yperen-De DeyneMichel WaroquierVeronique Van SpeybroeckAndrew M Beale

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

Understanding intrinsic light absorption properties of UiO-66 frameworks : a combined theoretical and experimental study

Kevin HendrickxDanny VanpouckeKaren LeusKurt LejaeghereAndy Van Yperen-De DeyneVeronique Van SpeybroeckPascal Van Der VoortKaren Hemelsoet

Understanding intrinsic light absorption properties of UiO-66 frameworks: a combined theoretical and experimental study

Kevin HendrickxDanny VanpouckeKaren LeusKurt LejaeghereAndy Van Yperen-De DeyneVeronique Van SpeybroeckPascal Van Der VoortKaren Hemelsoet

A1 Journal Article in INORGANIC CHEMISTRY

2014

A mechanistic investigation of the manganese-salen epoxidation

Thomas BogaertsAndy Van Yperen-De DeyneSebastian WoutersDimitri Van NeckPascal Van Der VoortVeronique Van Speybroeck

Automated generation of radical species in crystalline carbohydrate using ab initio MD simulations

Siv G AalbergsjoEwald PauwelsAndy Van Yperen-De DeyneVeronique Van SpeybroeckEinar Sagstuen

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Determining the storage, availability and reactivity of NH3 within Cu-Chabazite-based Ammonia Selective Catalytic Reduction systems

Ines Lezcano-GonzalezUpakul DekaBjørnar ArstadAndy Van Yperen-De DeyneKaren HemelsoetMichel WaroquierVeronique Van SpeybroeckBert M WeckhuysenAndrew M Beale

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Development of theoretical tools to accurately determine spectroscopic properties using advanced electronic structure methods

Andy Van Yperen-De DeyneVeronique Van SpeybroeckKaren HemelsoetMichel Waroquier

Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics

Andy Van Yperen-De DeyneThierry De MeyerEwald PauwelsAn GhyselsKaren De ClerckMichel WaroquierVeronique Van SpeybroeckKaren Hemelsoet

A1 Journal Article in JOURNAL OF CHEMICAL PHYSICS

Radiation induced damage in biomolecules : an ab initio molecular dynamics study on crystalline α-L-rhamnose

Siv G AalbergsjøEwald PauwelsAndy Van Yperen-De DeyneVeronique Van SpeybroeckEinar Sagstuen

Solution enthalpy of Po and Te in solid lead-bismuth eutectic

Kim RijpstraAndy Van Yperen-De DeyneJ NeuhausenVeronique Van SpeybroeckStefaan Cottenier

A1 Journal Article in JOURNAL OF NUCLEAR MATERIALS

Unraveling the mechanism of the manganese-salen epoxidation

Thomas BogaertsAndy Van Yperen-De DeyneSebastian WoutersDimitri Van NeckPascal Van Der VoortVeronique Van Speybroeck

2013

Dominant stable radicals in irradiated sucrose: g tensors and contribution to the powder electron paramagnetic resonance spectrum

Hendrik De CoomanJoke KeysabylJevgenij KusakovskijAndy Van Yperen-De DeyneMichel WaroquierFreddy CallensHenk Vrielinck

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY B

Mn-salen@MIL101(Al) : a heterogeneous, enantioselective catalyst synthesized using a 'bottle around the ship' approach

Thomas BogaertsAndy Van Yperen-De DeyneYing-Ya LiuFrederic LynenVeronique Van SpeybroeckPascal Van Der Voort

A1 Journal Article in CHEMICAL COMMUNICATIONS

Theoretical thermochemistry of Po interacting with LBE and filter materials

Kim RijpstraAndy Van Yperen-De DeyneMichel WaroquierStefaan CottenierVeronique Van Speybroeck

UV/Vis spectra of carbonaceous methanol-to-olefins intermediates using TD-DFT combined with molecular dynamics

Karen HemelsoetQingyun QianKristof De WispelaereThierry De MeyerAndy Van Yperen-De DeyneMichel WaroquierBert M WeckhuysenVeronique Van Speybroeck

2012

Accurate spin-orbit and spin-other-orbit contributions to the g-tensor for transition metal containing systems

Andy Van Yperen-De DeyneEwald PauwelsVeronique Van SpeybroeckMichel Waroquier

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Improving spin-(other)-orbit contributions to the g-tensor in a periodic DFT approach

Andy Van Yperen-De DeyneEwald PauwelsVeronique Van SpeybroeckMichel Waroquier

Theorethical thermochemistry of Po interacting with LBE and filter materials

Kim RijpstraAndy Van Yperen-De DeyneMichel WaroquierStefaan CottenierVeronique Van Speybroeck

2011

Assessment of periodic and cluster-in-vacuo models for first principles calculation of EPR parameters of paramagnetic defects in crystals: Rh2+ defects in NaCl as case study

Nuriya SakhabutdinovaAndy Van Yperen-De DeyneEwald PauwelsVeronique Van SpeybroeckHenk VrielinckFreddy CallensMichel Waroquier

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY A