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  • Currently displaying 1161 - 1180 of 31149 publications
Author(s)
Publication title
Journal Name
Publication year
Basis Set Incompleteness Errors in Fixed-Node Diffusion Monte Carlo Calculations on Noncovalent Interactions
K Nakano, BX Shi, D Alfè, A Zen
Journal of chemical theory and computation
(2025)
21
A single fibril study reveals that ApoE inhibits the elongation of Aβ42 fibrils in an isoform-dependent manner.
S Dasadhikari, S Ghosh, S Pal, TPJ Knowles, K Garai
Communications chemistry
(2025)
8
Cellulose nanocrystals as a candidate for solar geoengineering
D Warnes
(2025)
Conformational Pruning via the Permutation Invariant Root-Mean-Square Deviation of Atomic Positions
P Pracht
J Chem Inf Model
(2025)
65
Breaking Supercapacitor Symmetry Enhances Electrochemical Carbon Dioxide Capture
Z Xu, X Liu, G Mapstone, Z Coady, C Seymour, SE Wiesner, S Menkin, AC Forse
Journal of the American Chemical Society
(2025)
147
Machine Learning Force Fields for Modelling Reactions at Complex Interfaces
L Schaaf
(2025)
Single-molecule profiling of tau aggregates in tauopathies: From test tube to patient
D Böken
(2025)
Supramolecular Conductive Hydrogels With Homogeneous Ionic and Electronic Transport
SJK O'Neill, M Ashizawa, AM McLean, RR-M Serrano, T Shimura, M Agetsuma, M Tsutsumi, T Nemoto, CDJ Parmenter, JA McCune, GG Malliaras, N Matsuhisa, OA Scherman
Advanced materials (Deerfield Beach, Fla.)
(2025)
37
Proton-driven lithium separation using alkali-templated coordination cages
X Sun, K Wu, PCP Teeuwen, P Pracht, DJ Wales, JR Nitschke
Chem
(2025)
11
Protons Accumulate at the Graphene–Water Interface
XR Advincula, KD Fong, A Michaelides, C Schran
ACS Nano
(2025)
19
Regulating Biocondensates within Synthetic Cells via Segregative Phase Separation
C Chen, CM Love, CF Carnahan, KA Ganar, AN Parikh, S Deshpande
ACS nano
(2025)
19
Rational design of single-domain antibodies targeting the central nervous system neurite outgrowth inhibitor Nogo-A
VR Chowdhury, A Röntgen, M Greenig, YM Gómez, SP Spiegel, M Nowinska, A Ramon, P Sormanni, A Chan, M Vendruscolo
Wiley Interdisciplinary Reviews: RNA
(2025)
4
Nanosecond structural evolution in shocked coesite.
X Feng, S Pan, K Katagiri, J Shi, J Qu, K Nonaka, C Liu, L Sun, P Zhu, N Ozaki, T Sano, Y Inubushi, K Miyanishi, K Sueda, T Togashi, M Yabashi, T Yabuuchi, H Nakamura, Y Hironaka, Y Umeda, Y Seto, T Okuchi, J Sun, T Sekine, W Yang
Sci Adv
(2025)
11
Chalcogen Vacancies Rule Charge Recombination in Pnictogen Chalcohalide Solar-Cell Absorbers
C López, SR Kavanagh, P Benítez, E Saucedo, A Walsh, DO Scanlon, C Cazorla
(2025)
Development, uncertainty quantification, and reduction of a dimethyl sulfide oxidation mechanism
LSD Jacob
(2025)
Dome-like pressure-temperature phase diagram of the cooperative Jahn-Teller distortion in NaNiO2.
LAV Nagle-Cocco, JMA Steele, S Deng, X Zhang, D Daisenberger, AR Genreith-Schriever, SS Saxena, CP Grey, SE Dutton
Journal of Physics: Condensed Matter
(2025)
37
Cultivating Future Materials: Artificial Symbiosis for Bulk Production of Bacterial Cellulose Composites
K Yu, ST Chua, A Smith, AG Smith, T Ellis, S Vignolini
(2025)
Solid‐State Nuclear Magnetic Resonance Investigations of the Lithium‐ and Sodium‐Storage Mechanisms of Pyrolytic Phosphorus‐Carbon Composites
C Clark, CA O'Keefe, DS Wright, CP Grey
Chemsuschem
(2025)
18
Development of D-box peptides to inhibit the Anaphase Promoting Complex/Cyclosome
R Eapen, C Okoye, C Stubbs, M Schimpl, T Tischer, EJ Fisher, M Zacharopoulou, F Ferrer, D Barford, D Spring, C Lindon, C Phillips, LS Itzhaki
(2025)
High-performance training and inference for deep equivariant interatomic potentials
CW Tan, ML Descoteaux, M Kotak, GDM Nascimento, SR Kavanagh, L Zichi, M Wang, A Saluja, YR Hu, T Smidt, A Johansson, WC Witt, B Kozinsky, A Musaelian
(2025)