Results 21 to 30 of about 24,847 (263)

Chemie durch Computer - Chemie ohne Chemikalien

CHIMIA, 1976
The availability of high-speed computers has made feasible the approximate numerical solution of the Schrodinger equation for molecules of chemical interest. The quantum-chemical calculation of molecular electronic structure provides useful informations
Tae-Kyu Ha
doaj   +1 more source

Orbital-optimized pair-correlated electron simulations on trapped-ion quantum computers

npj Quantum Information, 2023
Variational quantum eigensolvers (VQE) are among the most promising approaches for solving electronic structure problems on near-term quantum computers.
Luning Zhao, Joshua Goings, Kyujin Shin, Woomin Kyoung, Johanna I. Fuks, June-Koo Kevin Rhee, Young Min Rhee, Kenneth Wright, Jason Nguyen, Jungsang Kim, Sonika Johri   +10 more
doaj   +1 more source

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

Molecular computers

CoRR, 2018
We propose the chemlambda artificial chemistry, whose behavior strongly suggests that real molecules which embed Interaction Nets patterns and real chemical reactions which resemble Interaction Nets graph rewrites could be a realistic path towards molecular computers, in the sense explained in the article.
openaire   +2 more sources

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

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

Simulating open-system molecular dynamics on analog quantum computers

Physical Review Research
Interactions of molecules with their environment influence the course and outcome of almost all chemical reactions. However, classical computers struggle to accurately simulate complicated molecule-environment interactions because of the steep growth of ...
Vanessa C. Olaya-Agudelo, Ben Stewart, Christophe H. Valahu, Ryan J. MacDonell, Maverick J. Millican, Vassili G. Matsos, Frank Scuccimarra, Ting Rei Tan, Ivan Kassal   +8 more
doaj   +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

Cup‐Like Nuclei Is a Hallmark of DUX4/ERG Acute Lymphoblastic Leukemia and Reveals Cytoplasmic Mitochondria Accumulation

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Cup‐like nuclei are a distinctive morphological feature observed in certain cases of acute lymphoblastic leukemia (ALL). We provide evidence that they characterize DUX4/ERG ALL independently of IKZF1 deletion and reveal marked mitochondrial accumulation in this ALL subset.
Chloé Arfeuille, Hugo Roux, Odile Fenneteau, Aurélie Caye‐Eude, Alexia Kinoo, Yoann Vial, André Baruchel, Marion Strullu, Elodie Lainey, Hélène Cavé   +9 more
wiley   +1 more source