Results 91 to 100 of about 637,276 (316)

Reptation Quantum Monte Carlo [PDF]

, 2017
We present an elementary and self-contained account of the analogies existing between classical diffusion and the imaginary-time evolution of quantum systems. These analogies are used to develop a new quantum simulation method which allows to calculate the ground-state expectation values of local observables without any mixed estimates nor population ...
Baroni, S., Moroni, S.
openaire   +3 more sources

Ice Lithography: Recent Progress Opens a New Frontier of Opportunities

Advanced Functional Materials, EarlyView.
This review focuses on recent advancements in ice lithography, including breakthroughs in compatible precursors and substrates, processes and applications, hardware, and digital methods. Moreover, it offers a roadmap to uncover innovation opportunities for ice lithography in fields such as biological, nanoengineering and microsystems, biophysics and ...
Bingdong Chang, Gwendoline A. E. Anand, Rubaiyet Haque, Dylan A. Chiaro, Mona Sharma, Andrew R. Williams, Frank Niklaus, Daryl W. Yee, Gavin M. King, Anpan Han   +9 more
wiley   +1 more source

A universal black-box quantum Monte Carlo approach to quantum phase transitions

npj Computational Materials
We derive exact, universal, closed-form quantum Monte Carlo estimators for finite-temperature energy susceptibility and fidelity susceptibility, applicable to essentially arbitrary Hamiltonians.
Nic Ezzell, Lev Barash, Itay Hen
doaj   +1 more source

Optimization of ground and excited state wavefunctions and van der Waals clusters [PDF]

, 2000
A quantum Monte Carlo method is introduced to optimize excited state trial wavefunctions. The method is applied in a correlation function Monte Carlo calculation to compute ground and excited state energies of bosonic van der Waals clusters of upto seven
Andrei Mushinski, B. Bernu, C. J. Umrigar, C. J. Umrigar, C. J. Umrigar, D. Blume, D. Blume, D. H. Zhang, D. M. Ceperley, D. M. Leitner, G. H. Golub, J. de Boer, J. H. Hetherington, J. K. L. MacDonald, M. Caffarel, M. Caffarel, M. Foulkes, M. Meierovich, M. P. Nightingale, M. P. Nightingale, M. P. Nightingale, V. Melik-Alaverdian, Vilen Melik-Alaverdian, W. H. Press, W. R. Brown   +24 more
core   +3 more sources

Progress on stochastic analytic continuation of quantum Monte Carlo data [PDF]

Physics reports, 2022
Hui Shao, A. Sandvik
semanticscholar   +1 more source

Quantum Monte Carlo calculations of energy gaps from first principles [PDF]

Physical review B, 2018
We review the use of continuum quantum Monte Carlo (QMC) methods for the calculation of energy gaps from first principles, and present a broad set of excited-state calculations carried out with the variational and fixed-node diffusion QMC methods on ...
R. Hunt, M. Szyniszewski, G. Prayogo, R. Maezono, N. Drummond   +4 more
semanticscholar   +1 more source

Post-measurement quantum Monte Carlo

Physical Review B
We show how the effects of large numbers of measurements on many-body quantum ground and thermal states can be studied using Quantum Monte Carlo (QMC). Density matrices generated by measurement in this setting feature products of many local nonunitary operators, and by expanding these density matrices as sums over operator strings we arrive at a ...
Kriti Baweja, David J. Luitz, Samuel J. Garratt   +2 more
openaire   +2 more sources

The Realization of Multidirectional, Free‐Standing 3D Plasmonic Nanostructures via 3D Nanoprinting: A Case Study of Fractal Antennas

Advanced Functional Materials, EarlyView.
Free‐standing plasmonic gold‐based fractal antennas are fabricated by 3D nanoprinting, employing focused electron beam induced deposition and an optimized purification method to remove carbon while conserving structural fidelity. Simulation and experiment show broadband plasmonic activity, including customizable polarizability, thereby paving the way ...
Verena Reisecker, Robert Winkler, Ulrich Hohenester, Evelin Fisslthaler, Daniel Knez, Gerald Kothleitner, Georg Haberfehlner   +6 more
wiley   +1 more source

First Principles Methods: A Perspective from Quantum Monte Carlo

Entropy, 2013
Quantum Monte Carlo methods are among the most accurate algorithms for predicting properties of general quantum systems. We briefly introduce ground state, path integral at finite temperature and coupled electron-ion Monte Carlo methods, their merits and
Miguel A. Morales, Raymond Clay, Carlo Pierleoni, David M. Ceperley   +3 more
doaj   +1 more source

Integrative Approaches for DNA Sequence‐Controlled Functional Materials

Advanced Functional Materials, EarlyView.
DNA is emerging as a programmable building block for functional materials with applications in biomimicry, biochemical, and mechanical information processing. The integration of simulations, experiments, and machine learning is explored as a means to bridge DNA sequences with macroscopic material properties, highlighting current advances and providing ...
Aaron Gadzekpo, Ewa Anna Oprzeska‐Zingrebe, Mariana Kozlowska, Lennart Hilbert, Iliya D. Stoev   +4 more
wiley   +1 more source