132 related articles for article (PubMed ID: 37793028)
1. Constrained Hybrid Monte Carlo Sampling Made Simple for Chemical Reaction Simulations.
Jin B; Hu T; Yu K; Xu S
J Chem Theory Comput; 2023 Oct; 19(20):7343-7357. PubMed ID: 37793028
[TBL] [Abstract][Full Text] [Related]
2. Hybrid Monte Carlo method with potential scaling for sampling from the canonical multimodal distribution and imitating the relaxation process.
Inagaki T; Saito S
J Chem Phys; 2022 Mar; 156(10):104111. PubMed ID: 35291788
[TBL] [Abstract][Full Text] [Related]
3. py-MCMD: Python Software for Performing Hybrid Monte Carlo/Molecular Dynamics Simulations with GOMC and NAMD.
Barhaghi MS; Crawford B; Schwing G; Hardy DJ; Stone JE; Schwiebert L; Potoff J; Tajkhorshid E
J Chem Theory Comput; 2022 Aug; 18(8):4983-4994. PubMed ID: 35621307
[TBL] [Abstract][Full Text] [Related]
4. Nucleation free-energy barriers with Hybrid Monte-Carlo/Umbrella Sampling.
Gonzalez MA; Sanz E; McBride C; Abascal JL; Vega C; Valeriani C
Phys Chem Chem Phys; 2014 Dec; 16(45):24913-9. PubMed ID: 25323418
[TBL] [Abstract][Full Text] [Related]
5. XIORT-MC: A real-time MC-based dose computation tool for low- energy X-rays intraoperative radiation therapy.
Ibáñez P; Villa-Abaunza A; Vidal M; Guerra P; Graullera S; Illana C; Udías JM
Med Phys; 2021 Dec; 48(12):8089-8106. PubMed ID: 34658039
[TBL] [Abstract][Full Text] [Related]
6. Efficient hybrid non-equilibrium molecular dynamics--Monte Carlo simulations with symmetric momentum reversal.
Chen Y; Roux B
J Chem Phys; 2014 Sep; 141(11):114107. PubMed ID: 25240345
[TBL] [Abstract][Full Text] [Related]
7. Efficient methods for including quantum effects in Monte Carlo calculations of large systems: extension of the displaced points path integral method and other effective potential methods to calculate properties and distributions.
Mielke SL; Dinpajooh M; Siepmann JI; Truhlar DG
J Chem Phys; 2013 Jan; 138(1):014110. PubMed ID: 23298031
[TBL] [Abstract][Full Text] [Related]
8. Enhanced configurational sampling with hybrid non-equilibrium molecular dynamics-Monte Carlo propagator.
Suh D; Radak BK; Chipot C; Roux B
J Chem Phys; 2018 Jan; 148(1):014101. PubMed ID: 29306299
[TBL] [Abstract][Full Text] [Related]
9. Macromolecular crowding: chemistry and physics meet biology (Ascona, Switzerland, 10-14 June 2012).
Foffi G; Pastore A; Piazza F; Temussi PA
Phys Biol; 2013 Aug; 10(4):040301. PubMed ID: 23912807
[TBL] [Abstract][Full Text] [Related]
10. Hybrid Monte Carlo implementation of the Fourier path integral algorithm.
Chakravarty C
J Chem Phys; 2005 Jul; 123(2):24104. PubMed ID: 16050738
[TBL] [Abstract][Full Text] [Related]
11. Simulating adsorptive expansion of zeolites: application to biomass-derived solutions in contact with silicalite.
Santander JE; Tsapatsis M; Auerbach SM
Langmuir; 2013 Apr; 29(15):4866-76. PubMed ID: 23495719
[TBL] [Abstract][Full Text] [Related]
12. Enhancing sampling of water rehydration upon ligand binding using variants of grand canonical Monte Carlo.
Ge Y; Melling OJ; Dong W; Essex JW; Mobley DL
J Comput Aided Mol Des; 2022 Oct; 36(10):767-779. PubMed ID: 36198874
[TBL] [Abstract][Full Text] [Related]
13. Finite-size effects in canonical and grand-canonical quantum Monte Carlo simulations for fermions.
Wang Z; Assaad FF; Parisen Toldin F
Phys Rev E; 2017 Oct; 96(4-1):042131. PubMed ID: 29347588
[TBL] [Abstract][Full Text] [Related]
14. Accessible Molecular System Creator: Building Molecular Configurations Based on the Inaccessible Molecular Volume and Accessible Molecular Surface via Static Monte Carlo Sampling.
Boulougouris GC
J Phys Chem B; 2023 Nov; 127(44):9520-9531. PubMed ID: 37883744
[TBL] [Abstract][Full Text] [Related]
15. A Novel Hybrid Monte Carlo Algorithm for Sampling Path Space.
Pinski FJ
Entropy (Basel); 2021 Apr; 23(5):. PubMed ID: 33922040
[TBL] [Abstract][Full Text] [Related]
16. Interfacing Branching Random Walks with Metropolis Sampling: Constraint Release in Auxiliary-Field Quantum Monte Carlo.
Xiao ZY; Shi H; Zhang S
J Chem Theory Comput; 2023 Oct; 19(19):6782-6795. PubMed ID: 37661928
[TBL] [Abstract][Full Text] [Related]
17. Nonequilibrium candidate Monte Carlo is an efficient tool for equilibrium simulation.
Nilmeier JP; Crooks GE; Minh DD; Chodera JD
Proc Natl Acad Sci U S A; 2011 Nov; 108(45):E1009-18. PubMed ID: 22025687
[TBL] [Abstract][Full Text] [Related]
18. Hybrid quantum/classical path integral approach for simulation of hydrogen transfer reactions in enzymes.
Wang Q; Hammes-Schiffer S
J Chem Phys; 2006 Nov; 125(18):184102. PubMed ID: 17115733
[TBL] [Abstract][Full Text] [Related]
19. Worm algorithm and diagrammatic Monte Carlo: a new approach to continuous-space path integral Monte Carlo simulations.
Boninsegni M; Prokof'ev NV; Svistunov BV
Phys Rev E Stat Nonlin Soft Matter Phys; 2006 Sep; 74(3 Pt 2):036701. PubMed ID: 17025780
[TBL] [Abstract][Full Text] [Related]
20. GPU-specific algorithms for improved solute sampling in grand canonical Monte Carlo simulations.
Zhao M; Kognole AA; Jo S; Tao A; Hazel A; MacKerell AD
J Comput Chem; 2023 Jul; 44(20):1719-1732. PubMed ID: 37093676
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
