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  • Currently displaying 2541 - 2560 of 30647 publications
Author(s)
Publication title
Journal Name
Publication year
The Implications of Particle Morphology on the Capacity Retention, Side Reactions, and Impedance Build-Up of Nickel-Rich NCMs upon Cycling in Full-Cells: Poly- vs. Single-Crystalline NCM851005
S Oswald, M Bock, HA Gasteiger
Journal of The Electrochemical Society
(2023)
170
Global analysis of energy landscapes for materials modeling: A test case for C60
G Csányi, JWR Morgan, DJ Wales
J Chem Phys
(2023)
159
Energy landscapes for proteins described by the UNRES coarse-grained potential.
PA Wesołowski, AK Sieradzan, MJ Winnicki, JWR Morgan, DJ Wales
Biophysical chemistry
(2023)
303
Catalytic degradation of benzene at room temperature over FeN4O2 sites embedded in porous carbon.
H Ding, L Xue, J Cui, Y Wang, D Zhao, X Zhi, R Liu, J Fu, S Liu, B Fu, J Shi, X Xu, GK Li
Journal of hazardous materials
(2023)
460
Mixed titanium/tin vacancy-ordered double perovskites (Cs₂Ti₁₋ₓSnₓX₆; X = I, Br)
S Liga, SR Kavanagh, A Walsh, DO Scanlon, G Konstantatos
(2023)
ACEpotentials.jl: A Julia Implementation of the Atomic Cluster Expansion
WC Witt, C van der Oord, E Gelžinytė, T Järvinen, A Ross, JP Darby, CH Ho, WJ Baldwin, M Sachs, J Kermode, N Bernstein, G Csányi, C Ortner
(2023)
Fully First-Principles Surface Spectroscopy with Machine Learning.
Y Litman, J Lan, Y Nagata, DM Wilkins
The Journal of Physical Chemistry Letters
(2023)
14
Chemoenzymatic Photoreforming: A Sustainable Approach for Solar Fuel Generation from Plastic Feedstocks
S Bhattacharjee, C Guo, E Lam, JM Holstein, M Rangel Pereira, CM Pichler, C Pornrungroj, M Rahaman, T Uekert, F Hollfelder, E Reisner
Journal of the American Chemical Society
(2023)
145
Accurate and efficient structure factors in ultrasoft pseudopotential and projector augmented wave DFT
BX Shi, RJ Nicholls, JR Yates
Physical Review B
(2023)
108
Guanidyl-Rich Poly(β Amino Ester)s for Universal Functional Cytosolic Protein Delivery and Clustered Regularly Interspaced Short Palindromic Repeats (CRISPR) Cas9 Ribonucleoprotein Based Gene Editing.
X Wang, Y Li, X Wang, DM Sandoval, Z He, S A, IL Sáez, W Wang
ACS Nano
(2023)
17
Energy landscapes and heat capacity signatures for peptides correlate with phase separation propensity.
Nicy, R Collepardo-Guevara, JA Joseph, DJ Wales
QRB discovery
(2023)
4
Sodium Tetrakis(hexafluoroisopropyloxy)aluminates: Synthesis and Electrochemical Characterisation of a Room-Temperature Solvated Ionic Liquid
DMC Ould, S Menkin, HE Smith, V Riesgo‐González, TH Smith, MNB Chinn, E Jónsson, AD Bond, CP Grey, DS Wright
Chemelectrochem
(2023)
11
Author Correction: Sensing the DNA-mismatch tolerance of catalytically inactive Cas9 via barcoded DNA nanostructures in solid-state nanopores.
SE Sandler, NE Weckman, S Yorke, A Das, K Chen, R Gutierrez, UF Keyser
Nat Biomed Eng
(2023)
8
A Supramolecular Naphthalene Diimide Radical Anion with Efficient NIR‐II Photothermal Conversion for E. coli‐Responsive Photothermal Therapy
H Hu, Y-Y Zhang, H Ma, Y Yang, S Mei, J Li, J-F Xu, X Zhang
Angew Chem Int Ed Engl
(2023)
62
Effects of Processing-Induced Contamination on Organic Electronic Devices
D Simatos, IE Jacobs, I Dobryden, M Nguyen, A Savva, D Venkateshvaran, M Nikolka, J Charmet, LJ Spalek, M Gicevičius, Y Zhang, G Schweicher, DJ Howe, S Ursel, J Armitage, IB Dimov, U Kraft, W Zhang, M Alsufyani, I McCulloch, RM Owens, PM Claesson, TPJ Knowles, H Sirringhaus
Small methods
(2023)
7
Of hopeful narratives and historical injustices – An analysis of just transition narratives in European coal regions
L Hermwille, M Schulze-Steinen, V Brandemann, M Roelfes, Z Vrontisi, E Kesküla, A Anger-Kraavi, Ł Trembaczowski, W Mandrysz, R Muster, A Zygmunt-Ziemianek
Energy Research and Social Science
(2023)
104
wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows
E Gelžinytė, S Wengert, TK Stenczel, HH Heenen, K Reuter, G Csányi, N Bernstein
J Chem Phys
(2023)
159
Artificial intelligence (AI) methodology in structural biology
A Bender, C de Graaf, NM O'Boyle
Current opinion in structural biology
(2023)
82
Vitamin B12 bioaccumulation in Chlorella vulgaris grown on food waste-derived anaerobic digestate
KP Papadopoulos, MF de Souza, L Archer, ACZ Illanes, EL Harrison, F Taylor, MP Davey, DA Gallardo, AJ Komakech, S Radmehr, A Holzer, E Meers, AG Smith, P Mehrshahi
Algal Research
(2023)
75
Spatiotemporal distribution of pollutants and impact of local meteorology on source influence on pollutants' level in a traffic air-shed in Lagos megacity, Nigeria.
AP Olufemi, OG Fawole, OK Owoade, OAM Popoola, RL Jones, AB Toyeje, PO Abiodun, OR Omokungbe, OE Abiye, LA Sunmonu
Environmental monitoring and assessment
(2023)
195