Results 71 to 80 of about 36,870 (209)

GeoGAD: geometry-aware antibody design framework for complementarity-determining region precision engineering. [PDF]

Bioinformatics
Wei S, Zhang J, Chen Y, Tang C, Tan J.
europepmc   +1 more source

Charge Transport in Ternary Charge‐Transfer Solid Solution Single Crystals

Advanced Functional Materials, EarlyView.
This study deconvolutes the roles of indirect (superexchange) and direct electronic coupling on charge transport in single crystals of an organic charge‐transfer molecular semiconductor (OSC). This model system elegantly demonstrates that structural defects introduced by chemical dopants play a significant role in the electronic performance ...
Jonathan C. Novak, Manikanta Makala, Edith L. MacKenzie, Veaceslav Coropceanu, Kimberly Agosto, Abigail A. Moravek, Oana D. Jurchescu, Ren A. Wiscons   +7 more
wiley   +1 more source

An Approximate Method for Exploring Nonradiative Decay Pathways From Highly Excited States of Lanthanide Complexes: Application to Luminescent Cerium Complexes. [PDF]

J Comput Chem
Ikuta S, Inagaki T, Hatanaka M.
europepmc   +1 more source

Block Copolymers: Emerging Building Blocks for Additive Manufacturing

Advanced Functional Materials, EarlyView.
This review addresses how block copolymer (BCP) physics and rheology have led to the widespread use of BCPs in advanced additive manufacturing techniques, with particular emphasis on the untapped potential of these nanostructured materials toward achieving multi‐scale architected materials with unique, programmable material properties.
Alice S. Fergerson, Hemish B. Thakkar, Jiaen Wu, Emily C. Davidson   +3 more
wiley   +1 more source

Shrink wrap meshing via graph-based optimization. [PDF]

Sci Rep
Liu Z, Gao X, Gong C, Chen X, Li C, Guo X, Xu C, Liu J.   +7 more
europepmc   +1 more source

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

Advanced Functional Materials, EarlyView.
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi, Sumukh Shankar Sharadaprasad, Rochus Schmid   +2 more
wiley   +1 more source

Single-view neural illumination estimation and editing for dynamic light field display. [PDF]

Light Sci Appl
Hong X, Xie J, Sheng J, Xie F, Zhang J, Wang K, Cheng M, Chen C, Park JH, Wu C.   +9 more
europepmc   +1 more source

Chiral SURMOFs for Vibrational Circular Dichroism: Multiscale Modeling and Experimental Insights

Advanced Functional Materials, EarlyView.
The use of solid‐state vibrational circular dichroism (VCD) for MOFs is still somewhat unexplored, and in this work, it is shown that chiral surface‐anchored MOFs (SURMOFs) grown on CaF2 provide an excellent platform for VCD. Experimental results are validated through multiscale modeling, showing strong agreement across multiple spectroscopic ...
Ana C. Fingolo, Nadine von Coelln, Benedikt Zerulla, Marjan Krstić, Christian Huck, Thomas G. Mayerhöfer, Christoph Krafft, Petra Tegeder, Carsten Rockstuhl, Christof Wöll   +9 more
wiley   +1 more source

Enhancing Synaptic Plasticity and Multistate Retention of Organic Neuromorphic Devices Using Anion‐Excessive Gel Electrolyte

Advanced Functional Materials, EarlyView.
Anion‐excessive gel‐based organic synaptic transistors (AEG‐OSTs) that can maintain electrical neutrality are developed to enhance synaptic plasticity and multistate retention. Key improvement is attributed to the maintenance of electrical neutrality in the electrolyte even after electrochemical doping, which reduces the Coulombic force acting on ...
Yousang Won, Jeongwoo Lee, Hyunwook Kim, Joon Hak Oh   +3 more
wiley   +1 more source

Computational Predictive Modeling of Surgical Outcomes in Total Anomalous Pulmonary Venous Connection: Assessing the Impact of Pulmonary Venous Confluence Size on Preoperative Planning. [PDF]

J Cardiovasc Transl Res
Jin J, Shi Z, Gao Q, Yu J, Jin I, Liang J, Fan X.   +6 more
europepmc   +1 more source