Results 151 to 160 of about 9,144 (238)

The Newton-X platform for mixed quantum-classical dynamics.

Phys Chem Chem Phys
Barbatti M, Mattos RS, Demoulin B, de O Bispo M, Bondanza M, Brady M, Crespo-Otero R, de Miranda EGF, Dral PO, Granucci G, Hehn A, Hernández FJ, Iuzzolino G, Kar R, Kossoski F, Lischka H, Mennucci B, Mukherjee S, Mukhopadhyay A, Perrella F, Persico M, Pinheiro M, Pittner J, Plasser F, Rega N, Sangiogo-Gil E, Thorat T, Toldo JM, Tomaz AA, Varella MTDN, Vasquez L.   +30 more
europepmc   +1 more source

Local Spin Density Approximation Strongly Improved by a Better-Informed Local Scaling of Its Self-Interaction Correction. [PDF]

J Chem Theory Comput
Shahi C, Maniar R, Ning J, Sah RK, Pederson MR, Ruzsinszky A, Peralta JE, Jackson KA, Perdew JP.   +8 more
europepmc   +1 more source

High‐Power Rapid Laser‐Induced Synthesis of Multi‐functional Cobalt Metal‐Organic Framework With an Unprecedented Synthesis Efficiency

Advanced Materials Technologies, EarlyView.
Laser‐assisted synthesis enables rapid (within 1 h) and high‐yield (≥90%) production of Co‐MOFs with mesoporous structures, tunable magnetic and optical properties, and efficient adsorption of N2, CH4, and CO2 for low‐energy gas separation. DFT calculations elucidate the electronic structure and adsorption behavior.
Saliha Mutlu, Bülend Ortaç, Ali Karatutlu, Taylan Gorkan, Engin Durgun, Dilek Soyler, Saniye Soylemez, Jelena Lillepäg, Volkan Filiz, Nergis Arsu, Sevil Savaskan Yilmaz   +10 more
wiley   +1 more source

Stabilized Radial Basis Function Finite Difference Schemes with Mass Conservation for the Cahn-Hilliard Equation on Surfaces. [PDF]

Entropy (Basel)
Qiao J, Qiao Y, He Y.
europepmc   +1 more source

An Imaging‐Guided, Patient‐Specific Guiding Aid (RWNGuide) for Safe and Reproducible Inner Ear Drug Delivery

Advanced Materials Technologies, EarlyView.
A patient‐specific, imaging‐guided aid enables precise and reproducible drug delivery to the inner ear. By guiding therapeutic agents directly to the round window niche, this approach reduces variability in drug localization, improves delivery safety, and addresses a critical bottleneck in inner ear therapy, offering a scalable strategy for precision ...
Yanjing Luo, Shanshan Jiang, Yimian Luo, Adele Moatti, Farnaz Matin‐Mann   +4 more
wiley   +1 more source

Low-Lying Excited States of Linear All-<i>Trans</i> Polyenes: Insights from Analytic Gradient and Nonadiabatic Coupling Calculations Based on Multireference Configuration Interaction. [PDF]

J Chem Theory Comput
Chagas JCV, F Dos Santos LG, do Monte SA, Aquino AJA, Plasser F, Shepard R, Szalay PG, Lischka H, Machado FBC.   +8 more
europepmc   +1 more source

From Rigid to Soft Robotic Approaches for Neuroendoscopy

Advanced Robotics Research, EarlyView.
Robotic assistance has had minimal impact on deep intraventricular surgeries, where small‐scale, precision, and reduced invasiveness can contribute to improved patient outcomes. Emerging technologies in rigid, soft, and hybrid robotics are reviewed to identify the most promising mechanisms for deep brain navigation in addition to an attempt to identify
Kieran Gilday, Irena Zubak, Andreas Raabe, Josie Hughes   +3 more
wiley   +1 more source

Effective descriptions of bosonic systems can be considered complete. [PDF]

Nat Commun
Arzani F, Booth RI, Chabaud U.
europepmc   +1 more source

A Proof‐of‐Concept Assessment of a Novel Wearable Eyelid Muscle Device: A Pre‐Clinical Animal Cadaver Study for Eyelid Closure Restoration

Advanced Robotics Research, EarlyView.
This article introduces a soft wearable eyelid sling device incorporating a hydraulic soft artificial muscle (SAM) for achieving complete closure of an eyelid. The SAM is driven by a cam mechanism that provides a displacement profile closely matched with those of a healthy eyelid.
Patrick Pruscino, Phuoc Thien Phan, James Davies, Bibhu Sharma, Tianruo Guo, Chi Cong Nguyen, Nigel H. Lovell, Thanh Nho Do   +7 more
wiley   +1 more source

Allele Frequency Spectra as a General Tool for Modeling Genetic Diversity. [PDF]

Acta Biotheor
Hössjer O, Laikre L, Ryman N.
europepmc   +1 more source