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1585

Particle initialization effects on Lyman-

α

forest statistics in cosmological SPH simulations

11 October 2023 by Nabendu Kumar Khan and others at Nottingham

Cosmology and Nongalactic Astrophysics

Multi-objective Bayesian optimisation using q-Noisy Expected Hypervolume Improvement (qNEHVI) for Schotten-Baumann reaction

26 September 2023 by Jiyizhe Zhang and others at

University of Cambridge

Organic Chemistry, Chemical Engineering and Industrial Chemistry

Transfer Learning for a Foundational Chemistry Model

20 September 2023 by Emma King-smith at

University of Cambridge

Theoretical and Computational Chemistry, Organic Chemistry

A coming of age for many-body methods: Achieving consensus with experiments for CO on MgO

6 September 2023 by Benjamin Shi and others at

University of Cambridge

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Predictive Minisci and P450 Late Stage Functionalization with Transfer Learning

6 September 2023 by Emma King-smith and others at

University of Cambridge

Theoretical and Computational Chemistry, Organic Chemistry

Probing the Chemical "Reactome" with High Throughput Experimentation Data

6 September 2023 by Emma King-smith and others at

University of Cambridge

Theoretical and Computational Chemistry, Organic Chemistry

Origins and importance of intragranular cracking in layered lithium transition metal oxide cathodes

31 August 2023 by Jędrzej Morzy and others at

University of Cambridge

Energy, Energy Storage

ORDerly: Datasets and benchmarks for chemical reaction data

30 August 2023 by Daniel Wigh and others at

University of Cambridge

Theoretical and Computational Chemistry, Organic Chemistry

Complete Valorisation of Lignocellulose and Low Concentration CO2 using a Fractionation-Photocatalysis-Electrolysis Process

29 August 2023 by Santiago Rodríguez-jiménez and others at

University of Cambridge

Catalysis, Electrocatalysis

Understanding the environmental impacts of large-scale cellulose nanocrystals production: Case studies in regions dependent on renewable and fossil fuel energy sources

24 August 2023 by Zhimian Hao and others at

University of Cambridge

Nanoscience, Chemical Engineering and Industrial Chemistry

pHbot: Self-Driven Robot for pH Adjustment of Viscous Formulations via Physics-informed-ML

18 August 2023 by Aniket Chitre and others at

University of Cambridge

Chemical Engineering and Industrial Chemistry, Industrial Manufacturing

Understanding the environmental impact of large-scale cellulose nanocrystals production: Case studies in regions dependent on renewable and fossil fuel energy sources

16 August 2023 by Polina Yaseneva and others at

University of Cambridge

Nanoscience, Chemical Engineering and Industrial Chemistry

Electrostatic [FeFe]-Hydrogenase–Carbon Nitride Assemblies for Efficient Solar Hydrogen Production

10 August 2023 by Yongpeng Liu and others at

University of Cambridge

Catalysis, Energy

ORDerly: Datasets and benchmarks for chemical reaction data

3 August 2023 by Daniel Wigh and others at

University of Cambridge

Theoretical and Computational Chemistry, Organic Chemistry

γ-Functional Iminiumthiolactones for Single or Double Modification of Peptides

1 August 2023 by Stefan Mommer and others at ETH Zurich

Biological and Medicinal Chemistry, Organic Chemistry

Interlaboratory Study Assessing the Analysis of Supercapacitor Electrochemistry Data

1 August 2023 by Jamie Gittins and others at

University of Cambridge

Energy, Energy Storage

Clarifying the local structure of dopants in garnet solid-state electrolytes for lithium-ion batteries

25 July 2023 by Sundeep Vema and others at

University of Cambridge

Materials Science, Inorganic Chemistry

Completing and balancing database excerpted chemical reactions with a hybrid mechanistic - machine learning approach

20 July 2023 by Chonghuan Zhang and others at

University of Cambridge

Organic Chemistry, Organic Synthesis and Reactions

Fits to measurements of rare heavy flavour decays

19 July 2023 by Ben Allanach at

University of Cambridge

High Energy Physics

Latent Space Representations of Neural Algorithmic Reasoners

17 July 2023 by Vladimir Mirjanić and others at

University of Cambridge

Machine Learning

Exploration of bioinformatic domain based on data mining, reaction and enzyme promiscuity predictions

11 July 2023 by Chonghuan Zhang and others at

University of Cambridge

Organic Chemistry

Chaos, Cosmic Ray Anisotropy, and the Heliosphere

6 July 2023 by Vanessa López-barquero and Paolo Desiati at

University of Cambridge

High Energy Astrophysical Phenomena, Plasma Physics

MolScore: A scoring and evaluation framework for de novo drug design

3 July 2023 by Morgan Thomas and others at

University of Cambridge

Theoretical and Computational Chemistry, Biological and Medicinal Chemistry

Transferable machine learning interatomic potential for bond dissociation energy prediction of drug-like molecule

29 June 2023 by Elena Gelžinytė and others at

University of Cambridge

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Constraining Dark Energy from Local Group dynamics

26 June 2023 by D. Benisty and others

Cosmology and Nongalactic Astrophysics, Astrophysics of Galaxies

Hybrid photothermal-photocatalyst sheets for solar-driven overall water splitting coupled to clean water production from seawater and waste streams

23 June 2023 by Chanon Pornrungroj and others at

University of Cambridge

Materials Science, Catalysis

Machine Learning Force Field for Molecular Liquids: EC/EMC Binary Solvent

23 June 2023 by Ioan-bogdan Magdău and others at

University of Cambridge

Theoretical and Computational Chemistry, Materials Science

Hetero-Diels-Alder Reaction between Singlet Oxygen and Anthracene Drives Integrative Cage Self-Sorting

19 June 2023 by Yuchong Yang and others at

University of Cambridge

Physical Chemistry, Inorganic Chemistry

Reaction dynamics as the missing puzzle piece: the origin of selectivity in oxazaborolidinium ion-catalysed reactions

19 June 2023 by Ching Ching Lam and Jonathan Goodman at

University of Cambridge

Theoretical and Computational Chemistry, Organic Chemistry

Open-chain thiamine analogues as potent inhibitors of thiamine pyrophosphate (TPP)-dependent enzymes

30 May 2023 by Alex H. Y. Chan and others at

University of Cambridge

Biological and Medicinal Chemistry, Drug Discovery and Drug Delivery Systems