Results 201 to 210 of about 25,273 (241)

Weighted Ensemble Simulation: Advances in methods, software, and applications. [PDF]

Wiley Interdiscip Rev Comput Mol Sci
Chong LT, Zuckerman DM.
europepmc   +1 more source

Supercomputers and their use in modeling subsurface solute transport

, 1991
D Barry, L Adams, T Crockett, G Amdahl, R Barlow, D Evans, D Barry, G Sposito, D Barry, G Sposito, D Barry, J Coves, G Sposito, G Baudet, A Behie, P Forsyth, A Behie, P Forsyth, A Behie, P Vinsome, C Bethke, C Bethke, W Harrison, C Upson, S Altanet, T Black, D Freyberg, T Black, D Freyberg, R Borden, P Bedient, C Chiang, M Wheeler, P Bedient, S.-Y Chu, G Sposito, S.-Y Chu, G Sposito, P Concus, G Golub, D O'leary, D Cox, E Snell, K Crump, G Dagan, G Dagan, G Dagan, G Dagan, G Dagan, P Denning, J Dongarra, F Gustavson, A Karp, B Efron, A Emmen, D Evans, D Evans, M Hatzopoulos, D Evans, A Hadjidimos, D Noutsos, J Fisher, L Freyberg, E Frind, E Frind, E Frind, E Frind, G Pinder, E Frind, E Sudicky, S Schellenberg, E Frind, E Sudicky, J Molson, S Garabedian, L Gelhar, M Celia, A Garder, D Peaceman, A Pozzi, C Gardiner, L Gelhar, L Gelhar, C Axness, L Gelhar, A Gutjahr, R Naff, M Goltz, P Roberts, S Hassanizadeh, T Leijnse, A Herbert, C Jackson, D Lever, M Hestenes, E Stiefel, P Huyakorn, C Taylor, P Huyakorn, P Anderson   +99 more
openalex   +2 more sources

An allocation rule for connection scheduling problems

International Transactions in Operational Research, Volume 33, Issue 2, Page 892-925, March 2026.
Abstract This paper studies so‐called connection scheduling problems, a type of interactive operations research problem. A connection scheduling problem combines aspects from the minimum cost spanning tree and sequencing problems. Given a graph, we aim to first establish a connection order on the players such that the total cost of connecting them to a
Laura Davila‐Pena, Peter Borm, Ignacio García‐Jurado, Jop Schouten   +3 more
wiley   +1 more source

50 years of weather forecasting at the ECMWF. [PDF]

Nat Commun
europepmc   +1 more source

Spectroscopic Probing of Solute-Solvent Interactions in Aqueous Methylsulphonylmethane (MSM) Solutions: An Integrated ATR-FTIR, Chemometric, and DFT Study. [PDF]

Int J Mol Sci
Panuszko A, Pastwa P, Giemza P, Bruździak P.   +3 more
europepmc   +1 more source

Technological Issues and Prospect of the Next-Generation Supercomputer Systems

, 2004
Yasuo Okabe, Yoshiki Seo, Hidetoshi Iwashita   +2 more
openalex   +2 more sources

A Novel Peak‐Shape Aware Approach for Mass Alignment in Mass Spectrometry

Rapid Communications in Mass Spectrometry, Volume 40, Issue 4, 28 February 2026.
ABSTRACT Rationale In mass spectrometry measurements, mass shifts may be inadvertently introduced due to instrumental drift and calibration inaccuracies, potentially compromising the accuracy of subsequent data analysis. This work presents a novel, label‐free algorithm to improve relative mass alignment between mass spectra.
Thomas Vanhemel, Melanie Nijs, Angeliki Birmpili, Tim F. E. Hendriks, Eva Cuypers, Bart De Moor   +5 more
wiley   +1 more source

Guanidinium Like‐Charge Ion Pairing and Oligoarginine Aggregation in Water by Nuclear Magnetic Resonance, Cryo‐Electron Microscopy, and Molecular Dynamics

Aggregate, Volume 7, Issue 2, February 2026.
This study shows that guanidinium cations weakly attract one another in water and form like‐charge contact ion pairs. From NMR, we determine the free energy of ion‐pair formation to be ≈${\approx }$ –0.5 kJ mol−1${\rm mol}^{-1}$, consistent with all‐atom MD simulations and DFT calculations.
Denys Biriukov, Zuzana Osifová, Man Thi Hong Nguyen, Philip E. Mason, Martin Dračínský, Pavel Jungwirth, Jan Heyda, Mattia I. Morandi, Mario Vazdar   +8 more
wiley   +1 more source