Results 31 to 40 of about 28,142 (308)

Exercises in Molecular Computing

Accounts of Chemical Research, 2014
CONSPECTUS: The successes of electronic digital logic have transformed every aspect of human life over the last half-century. The word "computer" now signifies a ubiquitous electronic device, rather than a human occupation. Yet evidently humans, large assemblies of molecules, can compute, and it has been a thrilling challenge to develop smaller ...
Stojanovic, Milan N., Stefanovic, Darko, Rudchenko, Sergei   +2 more
openaire   +2 more sources

Triplet-mediated spin entanglement between organic radicals: integrating first principles and open-quantum-system simulations

NPG Asia Materials, 2023
Controlling molecular spin quantum bits optically offers the potential to effectively reduce decoherence and raise the working temperature of quantum computers.
Tianhong Huang, Jiawei Chang, Lin Ma, Andrew J. Fisher, Nicholas M. Harrison, Taoyu Zou, Hai Wang, Wei Wu   +7 more
doaj   +1 more source

Ultrafast data mining of molecular assemblies in multiplexed high-density super-resolution images

Nature Communications, 2019
Analyzing the organization of molecular complexes in multi-color single-molecule localization microscopy data requires heavy computation resources that are impractical for laboratory computers.
Yandong Yin, Wei Ting Chelsea Lee, Eli Rothenberg   +2 more
doaj   +1 more source

Computer Aided Aroma Design. I. Molecular knowledge framework [PDF]

, 2008
Computer Aided Aroma Design (CAAD) is likely to become a hot issue as the REACH EC document targets many aroma compounds to require substitution. The two crucial steps in CAMD are the generation of candidate molecules and the estimation of properties ...
Nacef, Salif, Joulia, Xavier, Korichi, Mourad, Floquet, Pascal, Gerbaud, Vincent, Meniai, A.-Hassan   +5 more
core   +1 more source

Molecular dynamics for fluid mechanics in arbitrary geometries

, 2008
Simulations of nanoscale systems where fluid mechanics plays an important role are required to help design and understand nano-devices and biological systems.
Reese, Jason M., Jason M. Reese, Macpherson, Graham B., Reese, J.M., Macpherson, G.B., Graham B. Macpherson   +5 more
core   +1 more source

Simulation of Electronic Structure Hamiltonians Using Quantum Computers [PDF]

, 2011
Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically.
Biamonte, Jacob, Whitfield, James D., Alán Aspuru-Guzik, Jacob Biamonte, James D. Whitfield, Aspuru-Guzik, Alan   +5 more
core   +1 more source

Computer representation of molecular surfaces [PDF]

Journal of Medical Systems, 1982
The recent proliferation of algorithms that produce vector or raster drawings of space-filling models has advanced our understanding of the 3-D structure of molecules.
openaire   +2 more sources

European Standard Clinical Practice Guideline and EXPeRT Recommendations for the Diagnosis and Management of Gastroenteropancreatic Neuroendocrine Neoplasms in Children and Adolescents

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Pediatric gastroenteropancreatic neuroendocrine neoplasms (GEP‐NENs) are extremely rare and clinically heterogeneous. Management has largely been extrapolated from adult practice. This European Standard Clinical Practice Guideline (ESCP), developed by the EXPeRT network in collaboration with adult NEN experts, provides (adult) evidence ...
Michaela Kuhlen, Calogero Virgone, Antje Redlich, Michael Abele, Ricardo Lopez‐Almaraz, Tal Ben‐Ami, Ewa Bien, Gianni Bisogno, Maja Mazic Cesen, Andrea Ferrari, Malgorzata A. Krawczyk, Yves Reguerre, Dominik T. Schneider, Ines B. Brecht, Charlotte Rigaud, Bilgehan Yalcin, Rainer Claus, Christian Vokuhl, Constantin Lapa, Jörg Fuchs, Segolene Hescot, Thomas Walter, Julien Hadoux, Daniel Orbach   +23 more
wiley   +1 more source

Clinical and Biological Features of Response in Resistant Neuroblastoma to 131I‐Metaiodobenzylguanidine Radiotherapy in the Anti‐GD2 Immunotherapy Era

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Background 131I‐metaiodobenzylguanidine (131I‐MIBG) radiotherapy is a key treatment for relapsed and refractory (R/R) neuroblastoma (NB). Patients with R/R disease treated in the modern era are increasingly exposed to anti‐GD2 immunotherapy, which exerts selective pressure and may modify both tumor cell state and microenvironment.
Benjamin J. Lerman, Katherine K. Matthay, Fabienne Hollinger, Catriona Black, Ann A. Lazar, Miguel Pampaloni, Steven G. DuBois, Kieuhoa T. Vo   +7 more
wiley   +1 more source

Analog Quantum Simulation Of Molecular Dynamics And Spectroscopic Observables [PDF]

, 2022
Modern computational techniques used to simulate quantum chemistry are on the boundary of tractability due to the exponential growth of the molecular wavefunction, requiring a careful balance between molecule size and simulation accuracy. In recent years,
MacDonell, Ryan J.
core   +1 more source