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Classical and quantum simulations of a lithium ion solvated by a mixed Stockmayer clusterCHEMICAL PHYSICS LETTERSIF3.12019-06-015PREAI
Re-weighted random series path integral simulations of molecular clusters: Applications to lithium solvated by a mixed Stockmayer clusterINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYIF22019-02-192PREAI
Diffusion Monte Carlo simulations of gas phase and adsorbed D2-(H2)n clustersJOURNAL OF CHEMICAL PHYSICSIF3.12017-11-019PREAI
Smart darting diffusion Monte Carlo: Applications to lithium ion-Stockmayer clustersJOURNAL OF CHEMICAL PHYSICSIF3.12016-05-065PREAI
Ion-Stockmayer clusters: Minima, classical thermodynamics, and variational ground state estimates of Li+(CH3NO2)n (n=1-20)JOURNAL OF CHEMICAL PHYSICSIF3.12015-12-017PREAI
On the convergence of diffusion Monte Carlo in non-Euclidean spaces. II. Diffusion with sources and sinksJOURNAL OF CHEMICAL PHYSICSIF3.12015-03-1812PREAI
On the convergence of diffusion Monte Carlo in non-Euclidean spaces. I. Free diffusionJOURNAL OF CHEMICAL PHYSICSIF3.12015-03-1814PREAI
Ring polymer dynamics for rigid tops with an improved integratorJOURNAL OF CHEMICAL PHYSICSIF3.12014-07-146PREAI
Quantum simulations of the hydrogen molecule on ammonia clustersJOURNAL OF CHEMICAL PHYSICSIF3.12013-09-3015OAAI
A rare event sampling method for diffusion Monte Carlo using smart darting一种基于智能飞镖的扩散蒙特卡罗罕见事件抽样方法JOURNAL OF CHEMICAL PHYSICSIF3.12012-02-1711PREAI
Quantum Monte Carlo simulations of selected ammonia clusters (n=2-5): Isotope effects on the ground state of typical hydrogen bonded systemsJOURNAL OF CHEMICAL PHYSICSIF3.12010-12-0125OAAI
The thermodynamic and ground state properties of the TIP4P water octamerJOURNAL OF CHEMICAL PHYSICSIF3.12009-11-1329PREAI
Thermodynamic properties of ammonia clusters (NH3)n n=2-11: Comparing classical and quantum simulation results for hydrogen bonded speciesJOURNAL OF CHEMICAL PHYSICSIF3.12009-07-2119OAAI
A stereographic projection path integral study of the coupling between the orientation and the bending degrees of freedom of waterJOURNAL OF CHEMICAL PHYSICSIF3.12008-05-2716OAAI
Importance sampling for quantum Monte Carlo in manifolds: Addressing the time scale problem in simulations of molecular aggregatesJOURNAL OF CHEMICAL PHYSICSIF3.12008-04-2213OAAI
Stereographic projection path integral simulations of (HCI)n clusters (n=2-5):: Evidence of quantum induced melting in small hydrogen bonded networksJOURNAL OF CHEMICAL PHYSICSIF3.12008-03-3118PREAI
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