Results 61 to 70 of about 189,782 (285)

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

Quantum Monte Carlo for minimum energy structures

, 2010
We present an efficient method to find minimum energy structures using energy estimates from accurate quantum Monte Carlo calculations. This method involves a stochastic process formed from the stochastic energy estimates from Monte Carlo that can be ...
Jeffrey C. Grossman, Lucas K. Wagner, R. Brent   +2 more
core   +1 more source

A Mechanistic Blueprint for Fast, High‐Yield Green Scintillators Using Conjugated Polymer–Nanocrystal Composites

Advanced Functional Materials, EarlyView.
Conjugated polymer–nanocrystal composites are investigated to develop fast, high‐yield green scintillators. The polymer F8BT enables efficient, ultrafast emission, while blends with non‐emitting HfO2 nanocrystals and luminescent CdZnS/ZnS quantum dots reveal distinct sensitization mechanisms.
Chenger Wang, Emanuele Mazzola, Andrea Fratelli, Matteo L. Zaffalon, Francesco Bruni, Francesco Carulli, Xiaohe Zhou, Saptarshi Chakraborty, Leonardo Poletti, Luca Cappelletti, Francesco Meinardi, Francesca Rossi, Luca Gironi, Sergio Brovelli   +13 more
wiley   +1 more source

Formulation and Application of Quantum Monte Carlo Method to Fractional Quantum Hall Systems

, 2003
Quantum Monte Carlo method is applied to fractional quantum Hall systems. The use of the linear programming method enables us to avoid the negative-sign problem in the Quantum Monte Carlo calculations. The formulation of this method and the technique for
Haldane, Lang, Moore, Sei Suzuki, Shibata, Tatsuya Nakajima, Yoshioka   +6 more
core   +2 more sources

Quantum computing quantum Monte Carlo

Abstract Quantum computing and quantum Monte Carlo (QMC) are respectively the state-of-the-art quantum and classical computing methods for understanding many-body quantum systems. Here, we propose a hybrid quantum-classical algorithm that integrates these two methods, inheriting their distinct features in efficient representation and ...
Xiao Yuan, Yukun Zhang, Yifei Huang, Jinzhao Sun, Dingshun Lv   +4 more
openaire   +2 more sources

Beyond Earth: Resilience of Quasi‐2D Perovskite Solar Cells in Space

Advanced Materials, EarlyView.
In the article (DOI: 10.1002/adma.202520433), Christoph Putz and co‐workers demonstrate rigid quasi‐2D perovskite solar cells operating in low Earth orbit, delivering stable power for more than 100 days under real‐space conditions. In‐orbit performance is correlated with extensive ground‐based thermal and proton‐irradiation studies on rigid and ...
Christoph Putz, Lukas E. Lehner, Stepan Demchyshyn, Bekele Hailegnaw, Phillip Jahelka, Magdalena Breitwieser, Sercan Özen, Andrea Denker, Jürgen Bundesmann, Alina Hanna Dittwald, Dilara Karabulut, Philipp Tockhorn, Steve Albrecht, Felix Lang, Markus C. Scharber, Michael D. Kelzenberg, Harry A. Atwater, Martin Kaltenbrunner   +17 more
wiley   +1 more source

Off-diagonal Wave Function Monte Carlo Studies of Hubbard Model I

, 2002
We propose a Monte Carlo method, which is a hybrid method of the quantum Monte Carlo method and variational Monte Carlo theory, to study the Hubbard model.
Anderson P. W., Blankenbecler R., Ceperley D., Furukawa N., Giamarchi T., Gros C., Hirsch J. E., Hirsch J. E., Imada M., Kobayashi K., Kuroki K., Kuroki K., Mott N. F., Nakanishi T., Ohtsuka H., Parola A., Umrigar C. J., White S. R., Yamaji K., Yanagisawa T., Yanagisawa T., Yanagisawa T., Yokoyama H., Yokoyama H., Zhang S.   +24 more
core   +1 more source

Diffusion quantum Monte Carlo study of three-dimensional Wigner crystals [PDF]

, 2004
We report diffusion quantum Monte Carlo calculations of three-dimensional Wigner crystals in the density range r_s=100-150. We have tested different types of orbital for use in the approximate wave functions but none improve upon the simple Gaussian form.
C. Yannouleas, C.J. Umrigar, C.J. Umrigar, D.J. Thouless, D.M. Ceperley, D.M. Ceperley, E.P. Wigner, E.P. Wigner, F.H. Zong, G. Ortiz, H. Flyvbjerg, I. Souza, J. R. Trail, J.B. Anderson, J.P. Perdew, J.R. Trail, J.W. Moskowitz, M. D. Towler, N. D. Drummond, P.J. Reynolds, P.R.C. Kent, R. J. Needs, R.F. Bishop, S.A. Mikhailov, T. Kato, W. Kohn, W.J. Carr, W.J. Carr, W.M.C. Foulkes, Z. Radnai   +29 more
core   +2 more sources

Monte Carlo simulation of quantum computation [PDF]

Mathematics and Computers in Simulation, 1998
The many-body dynamics of a quantum computer can be reduced to the time evolution of non-interacting quantum bits in auxiliary fields by use of the Hubbard-Stratonovich representation of two-bit quantum gates in terms of one-bit gates. This makes it possible to perform the stochastic simulation of a quantum algorithm, based on the Monte Carlo ...
Cerf, Nicolas, Koonin, S. E.
openaire   +2 more sources

Neuromorphic Electronics for Intelligence Everywhere: Emerging Devices, Flexible Platforms, and Scalable System Architectures

Advanced Materials, EarlyView.
The perspective presents an integrated view of neuromorphic technologies, from device physics to real‐time applicability, while highlighting the necessity of full‐stack co‐optimization. By outlining practical hardware‐level strategies to exploit device behavior and mitigate non‐idealities, it shows pathways for building efficient, scalable, and ...
Kapil Bhardwaj, Roshni Satheesh Babu, Yuxin Xia, Eva Bestelink, Radu Sporea, Nikos Hastas, Ioannis Zeimpekis, Dimitra G. Georgiadou, Sayani Majumdar   +8 more
wiley   +1 more source