Join The University of Manchester, AstraZeneca, and Syngenta in a fully funded PhD program on Quantum Mechanics, Machine Learning, and Catalyst Design.
📢 Only one week left to apply! Don't miss out!
#PhD #Scholarship #QuantumChemistry #MachineLearning #CatalystDesign #CompChem
📢 Only one week left to apply! Don't miss out!
#PhD #Scholarship #QuantumChemistry #MachineLearning #CatalystDesign #CompChem
🚀 Join Us!
We have an exciting opportunity to join our research group!
This fully funded PhD position is part of the IPCat training programme.
Feel free to reach out if you have any questions or need more information.
👉 Apply now: www.findaphd.com/phds/project...
#PhD #compchem
We have an exciting opportunity to join our research group!
This fully funded PhD position is part of the IPCat training programme.
Feel free to reach out if you have any questions or need more information.
👉 Apply now: www.findaphd.com/phds/project...
#PhD #compchem
April 8, 2025 at 5:55 AM
Join The University of Manchester, AstraZeneca, and Syngenta in a fully funded PhD program on Quantum Mechanics, Machine Learning, and Catalyst Design.
📢 Only one week left to apply! Don't miss out!
#PhD #Scholarship #QuantumChemistry #MachineLearning #CatalystDesign #CompChem
📢 Only one week left to apply! Don't miss out!
#PhD #Scholarship #QuantumChemistry #MachineLearning #CatalystDesign #CompChem
Excited to share our book chapter "In silico Catalyst Design within Asymmetric Organocatalysis", published with Wiley. It covers computational methods from basics to data-driven approaches.
@iiribarren.bsky.social @manchester.ac.uk
onlinelibrary.wiley.com/doi/10.1002/... #Compchem #CatalystDesign
@iiribarren.bsky.social @manchester.ac.uk
onlinelibrary.wiley.com/doi/10.1002/... #Compchem #CatalystDesign
In silico Catalyst Design Within Asymmetric Organocatalysis
This chapter focuses on the fundamental design principles that guide computational studies in asymmetric organocatalysis, emphasizing key concepts such as transition state theory, the Curtin–Hammett ....
onlinelibrary.wiley.com
November 24, 2025 at 10:01 AM
Excited to share our book chapter "In silico Catalyst Design within Asymmetric Organocatalysis", published with Wiley. It covers computational methods from basics to data-driven approaches.
@iiribarren.bsky.social @manchester.ac.uk
onlinelibrary.wiley.com/doi/10.1002/... #Compchem #CatalystDesign
@iiribarren.bsky.social @manchester.ac.uk
onlinelibrary.wiley.com/doi/10.1002/... #Compchem #CatalystDesign
Welcome Prof. Okumura (#KogakuinUniversity, #Tokyo, #Japan) to our #AdvisoryBoard.
#Expertise in #HeterogeneousCatalysis, #CatalystDesign, #SurfaceScience, #ReactionMechanisms #SustainableCatalysis and #InnovationInChemistry.
🔗 Full announcement: insuf.org/journal/icms...
#ICMS
#Expertise in #HeterogeneousCatalysis, #CatalystDesign, #SurfaceScience, #ReactionMechanisms #SustainableCatalysis and #InnovationInChemistry.
🔗 Full announcement: insuf.org/journal/icms...
#ICMS
December 27, 2025 at 7:29 AM
Welcome Prof. Okumura (#KogakuinUniversity, #Tokyo, #Japan) to our #AdvisoryBoard.
#Expertise in #HeterogeneousCatalysis, #CatalystDesign, #SurfaceScience, #ReactionMechanisms #SustainableCatalysis and #InnovationInChemistry.
🔗 Full announcement: insuf.org/journal/icms...
#ICMS
#Expertise in #HeterogeneousCatalysis, #CatalystDesign, #SurfaceScience, #ReactionMechanisms #SustainableCatalysis and #InnovationInChemistry.
🔗 Full announcement: insuf.org/journal/icms...
#ICMS
IBM Research and Quanta Computer achieve <1 kcal/mol precision in predicting titanium catalyst selectivity for plastics production using hybrid quantum-classical SQD-TCC(T) method, enabling more efficient industrial chemical processes.
#QuantumChemistry #CatalystDesign #QuantumComputing
#QuantumChemistry #CatalystDesign #QuantumComputing
Hybrid Quantum-Classical Method Achieves Industrial-Scale Accuracy in Titanium Catalyst Selectivity Prediction
quantumzeitgeist.com
September 19, 2026 at 11:44 AM
IBM Research and Quanta Computer achieve <1 kcal/mol precision in predicting titanium catalyst selectivity for plastics production using hybrid quantum-classical SQD-TCC(T) method, enabling more efficient industrial chemical processes.
#QuantumChemistry #CatalystDesign #QuantumComputing
#QuantumChemistry #CatalystDesign #QuantumComputing
The Newton International Fellowship is now open!
A fantastic chance for early-career researchers to join a UK institution.
If your work involves #QM, #ML & #Catalysis, and you're interested in joining my group, feel free to reach out!
royalsociety.org/grants/newto...
#CompChem #CatalystDesign
A fantastic chance for early-career researchers to join a UK institution.
If your work involves #QM, #ML & #Catalysis, and you're interested in joining my group, feel free to reach out!
royalsociety.org/grants/newto...
#CompChem #CatalystDesign
Newton International Fellowships | Royal Society
This fellowship is for non-UK scientists who are at an early stage of their research career and wish to conduct research in the UK.
royalsociety.org
January 29, 2025 at 7:38 AM
The Newton International Fellowship is now open!
A fantastic chance for early-career researchers to join a UK institution.
If your work involves #QM, #ML & #Catalysis, and you're interested in joining my group, feel free to reach out!
royalsociety.org/grants/newto...
#CompChem #CatalystDesign
A fantastic chance for early-career researchers to join a UK institution.
If your work involves #QM, #ML & #Catalysis, and you're interested in joining my group, feel free to reach out!
royalsociety.org/grants/newto...
#CompChem #CatalystDesign
New Study by Penn on Mapping catalyst failure to advance clean #hydrogen fuel production.
#hydrogeneconomy #catalystdesign
fcw.sh/zLR9vD
#hydrogeneconomy #catalystdesign
fcw.sh/zLR9vD
April 3, 2026 at 3:03 PM
New Study by Penn on Mapping catalyst failure to advance clean #hydrogen fuel production.
#hydrogeneconomy #catalystdesign
fcw.sh/zLR9vD
#hydrogeneconomy #catalystdesign
fcw.sh/zLR9vD
🔔 Hot article by Suping Li, Lei Wang, Jianping Lai 𝘦𝘵 𝘢𝘭.
Multiscale dynamic electrocatalysts: reconstruction mechanism, in situ characterization and pathway regulation
🔗 doi.org/10.1039/d6qi...
#Electrocatalysis #DynamicCatalysts #InSituCharacterization #EnergyConversion #CatalystDesign
Multiscale dynamic electrocatalysts: reconstruction mechanism, in situ characterization and pathway regulation
🔗 doi.org/10.1039/d6qi...
#Electrocatalysis #DynamicCatalysts #InSituCharacterization #EnergyConversion #CatalystDesign
August 19, 2026 at 5:35 AM
🔔 Hot article by Suping Li, Lei Wang, Jianping Lai 𝘦𝘵 𝘢𝘭.
Multiscale dynamic electrocatalysts: reconstruction mechanism, in situ characterization and pathway regulation
🔗 doi.org/10.1039/d6qi...
#Electrocatalysis #DynamicCatalysts #InSituCharacterization #EnergyConversion #CatalystDesign
Multiscale dynamic electrocatalysts: reconstruction mechanism, in situ characterization and pathway regulation
🔗 doi.org/10.1039/d6qi...
#Electrocatalysis #DynamicCatalysts #InSituCharacterization #EnergyConversion #CatalystDesign
Rethinking hydrogen catalysts: New research reveals overlooked factors in efficiency. Discover the future of sustainable energy. #HydrogenInnovation #CatalystDesign #SustainableEnergy
Beyond Hydrogen Binding: Rethinking Catalyst Design
Tohoku University's latest research challenges the traditional reliance on hydrogen binding energy in catalyst design, revealing the significant roles of poisoning species and alternative active sites in enhancing hydrogen production efficiency.
geekoo.news
April 23, 2025 at 1:01 PM
Rethinking hydrogen catalysts: New research reveals overlooked factors in efficiency. Discover the future of sustainable energy. #HydrogenInnovation #CatalystDesign #SustainableEnergy
A tiny tweak in surface ligands makes a big difference! Cu₁₄ nanoclusters with phenylethanethiol show higher CO₂-to-formic acid selectivity (~40%) and better stability. Smart design = better catalysts! #CO2Reduction #Nanotech #CatalystDesign #decarbonization
doi.org/10.1002/smll...
doi.org/10.1002/smll...
May 28, 2025 at 5:55 AM
A tiny tweak in surface ligands makes a big difference! Cu₁₄ nanoclusters with phenylethanethiol show higher CO₂-to-formic acid selectivity (~40%) and better stability. Smart design = better catalysts! #CO2Reduction #Nanotech #CatalystDesign #decarbonization
doi.org/10.1002/smll...
doi.org/10.1002/smll...