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  • Currently displaying 1201 - 1220 of 31102 publications
Author(s)
Publication title
Journal Name
Publication year
Proton-transfer kinetics at liquid-liquid interfaces
N D'Antona, J Kelly, N Barnard, S Ardo, Y Wang, Y Surendranath, T Markland, P Kempler, S Boettcher
(2025)
Probing the electrochemical behaviour of lithium imide as an electrolyte for solid-state batteries.
JP Lowen, T Insinna, TV Beatriceveena, MP Stockham, B Dong, SJ Day, CP Grey, E Kendrick, PR Slater, PA Anderson, JW Makepeace
EES Batter
(2025)
1
The need to implement FAIR principles in biomolecular simulations.
RE Amaro, J Åqvist, I Bahar, F Battistini, A Bellaiche, D Beltran, PC Biggin, M Bonomi, GR Bowman, RA Bryce, G Bussi, P Carloni, DA Case, A Cavalli, C-EA Chang, TE Cheatham, MS Cheung, C Chipot, LT Chong, P Choudhary, GA Cisneros, C Clementi, R Collepardo-Guevara, P Coveney, R Covino, TD Crawford, M Dal Peraro, BL de Groot, L Delemotte, M De Vivo, JW Essex, F Fraternali, J Gao, JL Gelpí, FL Gervasio, FD González-Nilo, H Grubmüller, MG Guenza, HV Guzman, S Harris, T Head-Gordon, R Hernandez, A Hospital, N Huang, X Huang, G Hummer, J Iglesias-Fernández, JH Jensen, S Jha, W Jiao, WL Jorgensen, SCL Kamerlin, S Khalid, C Laughton, M Levitt, V Limongelli, E Lindahl, K Lindorff-Larsen, S Loverde, M Lundborg, YL Luo, FJ Luque, CI Lynch, AD MacKerell, A Magistrato, SJ Marrink, H Martin, JA McCammon, K Merz, V Moliner, AJ Mulholland, S Murad, AN Naganathan, S Nangia, F Noe, A Noy, J Oláh, ML O'Mara, MJ Ondrechen, JN Onuchic, A Onufriev, S Osuna, G Palermo, AR Panchenko, S Pantano, C Parish, M Parrinello, A Perez, T Perez-Acle, JR Perilla, BM Pettitt, A Pietropaolo, J-P Piquemal, AB Poma, M Praprotnik, MJ Ramos, P Ren, N Reuter, A Roitberg, E Rosta, C Rovira, B Roux, U Rothlisberger, KY Sanbonmatsu, T Schlick, AK Shaytan, C Simmerling, JC Smith, Y Sugita, K Świderek, M Taiji, P Tao, DP Tieleman, IG Tikhonova, J Tirado-Rives, I Tuñón, MW van der Kamp, D van der Spoel, S Velankar, GA Voth, R Wade, A Warshel, VV Welborn, SD Wetmore, TJ Wheeler, CF Wong, L-W Yang, M Zacharias, M Orozco
Nature methods
(2025)
22
Spontaneous Surface Charging and Janus Nature of the Hexagonal Boron Nitride-Water Interface
Y Wang, H Luo, XR Advincula, Z Zhao, A Esfandiar, D Wu, KD Fong, L Gao, AS Hazrah, T Taniguchi, C Schran, Y Nagata, L Bocquet, M-L Bocquet, Y Jiang, A Michaelides, M Bonn
(2025)
Exploring the Electrode-Electrolyte Interface of Electrically Conductive Layered Metal-Organic Frameworks with Nuclear Magnetic Resonance
C Balhatchet
(2025)
Structural defects in amyloid-β fibrils drive secondary nucleation
J Hu, T Scheidt, D Thacker, E Axell, E Stemme, U Łapińska, S Wennmalm, G Meisl, S Curk, M Andreasen, M Vendruscolo, P Arosio, A Saric, JD Schmit, TPJ Knowles, E Sparr, S Linse, TCT Michaels, AJ Dear
(2025)
Multi‐Model Assessment of Future Hydrogen Soil Deposition and Lifetime Using CMIP6 Data
MAJ Brown, NJ Warwick, AT Archibald
Geophysical Research Letters
(2025)
52
Temperature-dependent kinetic analysis of direct air capture using a gravimetric approach in porous environments
Y Wang, D Zhao, GK Li
Adsorption
(2025)
31
Field Detection of Multiple Infectious Diseases with Naked Eye Using Plasmonic-Enhanced Fluorescent Nanoparticles
X Tan, J Yang, Y Liu, Z Tang, H Xiao, J Lv, Y He, R Hu, Z Jin, S Chen, Z Xu, L Cheng, J Li, R Zou, X Li, P Shao, J Yuan, B Zhang
Analytical Chemistry
(2025)
97
Transforming breakfast bio-waste into hydrogen storage materials
S Stock, COW Trost, M Seyffertitz, J Selinger, RK Gupta, C Tampaxis, TA Steriotis, C Rebholz, C Mitterer, O Paris, N Kostoglou
International Journal of Hydrogen Energy
(2025)
114
Main Group Elements in Catalysis: Alkene/Alkyne Activation Using Organoaluminium(III)–Pyridyl Dimers
D Choudhury
(2025)
Volatile to Non-Volatile Switching Transition in Chalcogenides
Z Zhao, M Zhang, Q Yang, T Gotoh, Q Ge, N Shi, Y Sun, J Zhao, Y Sui, R Jiang, H Yu, SR Elliott, Z Song, M Zhu
Advanced Functional Materials
(2025)
35
Towards routine modelling of condensed phases with the accuracy of quantum Diffusion Monte Carlo
F Della Pia
(2025)
Gold nanorods as multidimensional optical nanomaterials: machine learning-enhanced quantitative fingerprinting of proteins for diagnostic applications.
A Orouji, M Ghamsari, S Abbasi-Moayed, M Akbari, M Maaza, MR Hormozi-Nezhad
Nanoscale
(2025)
17
Giovanni Ciccotti: a Renaissance physicist
S Bonella, D Frenkel, G Jackson, S Meloni, R Vuilleumier
Molecular Physics
(2025)
123
Intrinsic point defect tolerance in selenium for indoor and tandem photovoltaics
SR Kavanagh, RS Nielsen, JL Hansen, RS Davidsen, O Hansen, AE Samli, PC Vesborg, DO Scanlon, A Walsh
(2025)
Photoelectrochemical fuel synthesis using organic semiconductors with (bio)molecular catalysts
CWS Yeung
(2025)
Two-dimensional electronic spectroscopy in the condensed phase using equivariant transformer accelerated molecular dynamics simulations
J Kelly, F Hu, A Damiani, MS Chen, A Snider, M Son, A Lee, P Gupta, A Montoya-Castillo, TJ Zuehlsdorff, GS Schlau-Cohen, CM Isborn, TE Markland
(2025)
A Hybrid Plasmonic Nanoplatform for One-Pot DNA and Antibody Detection of Hepatitis B, Monkeypox, and Associated Infections
H Xiao, Z Jin, Y Liu, Y Yang, G Wang, Y He, Y Yin, R Zou, X Li, J Yang, J Lv, L Cheng, P-L Shao, J Yuan, B Zhang
Nano Lett
(2025)
25
Understanding and Improving Electrochemical CO2 Capture by Supercapacitive Swing Adsorption
G Mapstone
(2025)