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  • Currently displaying 1221 - 1240 of 30204 publications
Author(s)
Publication title
Journal Name
Publication year
Conformational Pruning via the Permutation Invariant Root Mean Square Deviation of Atomic Positions
P Pracht
(2024)
AlphaFold-Metainference: Prediction of Structural Ensembles of Disordered Proteins
ZF Brotzakis, S Zhang, MH Murtada, M Vendruscolo
(2024)
Innenrücktitelbild: Resolving Structures of Paramagnetic Systems in Chemistry and Materials Science by Solid‐State NMR: The Revolving Power of Ultra‐Fast MAS (Angew. Chem. 1/2025)
J Koppe, KJ Sanders, TC Robinson, AL Lejeune, D Proriol, S Wegner, A Purea, F Engelke, RJ Clément, CP Grey, AJ Pell, G Pintacuda
Angewandte Chemie
(2024)
137
Inside Back Cover: Resolving Structures of Paramagnetic Systems in Chemistry and Materials Science by Solid‐State NMR: The Revolving Power of Ultra‐Fast MAS (Angew. Chem. Int. Ed. 1/2025)
J Koppe, KJ Sanders, TC Robinson, AL Lejeune, D Proriol, S Wegner, A Purea, F Engelke, RJ Clément, CP Grey, AJ Pell, G Pintacuda
Angewandte Chemie International Edition
(2024)
64
Solid-liquid interfacial free energy from computer simulations: Challenges and recent advances
ND Pasquale, J Algaba, PMD Hijes, I Sanchez-Burgos, AR Tejedor, SR Yeandel, FJ Blas, RL Davidchack, JR Espinosa, CL Freeman, JH Harding, BB Laird, E Sanz, C Vega, L Rovigatti
(2024)
Learning the rules of peptide self-assembly through data mining with large language models
Z Yang, SK Yorke, TPJ Knowles, MJ Buehler
(2024)
Decreasing the Uncertainty in the Comparison of Molecular Fingerprints of Organic Aerosols with H/D Exchange Mass Spectrometry.
A Zherebker, O Babcock, DL Pereira, S D'Aronco, D Filippi, L Soldà, V Michoud, A Gratien, M Cirtog, C Cantrell, P Formenti, C Giorio
Environmental science & technology
(2024)
58
HOMs and SOA formation from the oxidation of α- and β-phellandrenes by NO3 radicals
S Harb, M Cirtog, S Alage, C Cantrell, M Cazaunau, V Michoud, E Pangui, A Bergé, C Giorio, F Battaglia, B Picquet-Varrault
(2024)
Global kinetic model of lipid-inducedα-synuclein aggregation and its inhibition by small molecules
A Stevenson, R Staats, AJ Dear, D Voderholzer, G Meisl, R Guido, C Galvagnion, AK Buell, TPJ Knowles, M Vendruscolo, TCT Michaels
(2024)
Supplementary material to "HOMs and SOA formation from the oxidation of α- and β-phellandrenes by NO 3 radicals"
S Harb, M Cirtog, S Alage, C Cantrell, M Cazaunau, V Michoud, E Pangui, A Bergé, C Giorio, F Battaglia, B Picquet-Varrault
(2024)
Single-molecule characterisation of soluble beta-amyloid aggregate binding by Aducanumab, Lecanemab, Gantenerumab, and Donanemab
D Klenerman, E Fertan, J Lam, G Albertini, M Dewilde, Y Wu, O Akingbade, D Böken, E English, B De Strooper
(2024)
Classification and quantitative characterisation of the excited states of p-conjugated diradicals
L Matasović, H Bronstein, RH Friend, F Plasser
Faraday Discussions
(2024)
254
Transparent, Sprayable Plastic Films for Luminescent Down‐Shifted‐Assisted Plant Growth
R Müller, B Okokhere‐Edeghoghon, NJ Janowicz, AD Bond, G Kociok‐Kohn, LMR Cox, D Garzon, TW Waine, IG Truckell, E Gage, AJ Thompson, D Busko, IA Howard, MS Saavedra, BS Richards, B Breiner, P Cameron, DS Wright
Advanced Materials Technologies
(2024)
10
Permutation symmetry in spin-adapted many-body wave functions
M Song, A Alavi, G Li Manni
Faraday Discuss
(2024)
254
Orbital optimisation in xTC transcorrelated methods.
D Kats, EMC Christlmaier, T Schraivogel, A Alavi
Faraday discussions
(2024)
254
Novel perturbative and variational methods for stronger correlations: general discussion.
V Abraham, K Atalar, KO Berard, GH Booth, HGA Burton, GK-L Chan, FA Evangelista, M-A Filip, E Giner, A Gunasekera, PJ Knowles, M-B Lepetit, K Liao, P-F Loos, E Magnusson, NJ Mayhall, C Mejuto-Zaera, F Neese, VA Neufeld, P Ntola, F Plasser, V Ravindran, C Schilling, G Scuseria, J Shee, BX Shi, DP Tew, AJW Thom, Z Wang, D Zgid
Faraday Discuss
(2024)
254
Tiled unitary product states for strongly correlated Hamiltonians.
HGA Burton
Faraday Discuss
(2024)
254
35 challenges in materials science being tackled by PIs under 35(ish) in 2024
IA Lázaro, A Anastasaki, HAM Ardoña, MQ Arguilla, ASR Bati, M Batmunkh, QA Besford, MP Browne, SJ Bryant, M Carlotti, C Contini, C Delaney, ER Draper, A Elbourne, JD Evans, L Florea, A Forner-Cuenca, AC Forse, MI Gonzalez, S Krause, HK Lee, MM Lerch, S Liu, N López-Salas, FJ Martin-Martinez, C Pezzato, L Protesescu, F Schaufelberger, PS Pascual, AS Fernández, WA Tarpeh, G Vilé, LKS von Krbek, H Wang, T Wu, CJR Wells, SW Cranford
Matter
(2024)
7
Rapidly convergent quantum Monte Carlo using a Chebyshev projector
Z Zhao, M-A Filip, AJW Thom
Faraday Discuss
(2024)
254
Stochastic and low-scaling techniques: general discussion
A Alavi, M Allen, K Atalar, TC Berkelbach, GH Booth, HGA Burton, GK-L Chan, L Craciunescu, D Danilov, W Dobrautz, FA Evangelista, M-A Filip, E Giner, G Greene-Diniz, A Grüneis, Y Guo, G Harsha, B Ibrahim, V Kapil, D Kats, PJ Knowles, M-B Lepetit, K Liao, G Li Manni, P-F Loos, E Magnusson, A Marie, C Mejuto-Zaera, F Neese, A Nejad, VA Neufeld, K Pernal, F Plasser, AW Prentice, V Ravindran, U Rehman, M Reiher, C Schilling, G Scuseria, J Shee, BX Shi, K Szenes, DP Tew, AJW Thom, Z Wang, D Zgid, A Zhu, MA Zwijnenburg
Faraday discussions
(2024)
254