Ab initio molecular dynamics :

QR Code

Ab initio molecular dynamics : Basic theory and advanced methods

Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing...

Full description

Saved in:

Bibliographic Details
Main Author:	Marx, Dominik
Format:	Book
Language:	Undetermined
Published:	Cambridge Cambridge University Press 2009
Subjects:	Động lực học phân tử,Molecular dynamics Mô phỏng máy tính,Computer simulation
Tags:	Add Tag No Tags, Be the first to tag this record!

Institutions:	Trung tâm Học liệu Trường Đại học Cần Thơ

Similar Items

Dynamic modeling
by: Hannon, Bruce M.
Published: (2001)

Molecular Simulation Methods for Predicting Polymer Properties
Published: (2005)

Molecular computational models : unconventional approaches
by: Gheorghe, Marian
Published: (2005)

Molecular dynamics simulation of the effect of a side chain on the dynamics of the amorphous LiPF6-PEO system /

Theories of molecular reaction dynamics
by: Henriksen, Niels Engholm
Published: (2008)

Simulation with Arena
by: Kelton, W. David
Published: (2015)

Mô hình đồ thị tìm kiếm vị trí địa lý dựa trên cấu trúc Balltree :
by: Lương, Hoàng Hướng
Published: (2015)

Mô phỏng đóng mở cống theo thời gian thực với mô hình ô-tô-mát tế bào :
by: Huỳnh, Thanh Nhã
Published: (2017)

Monte carlo simulation of vapor-liquid equilibrria of liquid fluorine using new ab initio intermolecular interaction potentials = Mô phỏng monte carlo cân bằng lỏng hơi của flo lỏng sử dụng các thế tương tác phân tử ab initio mới
by: Phạm, Văn Tất

Molecular machines and motors /
Published: (2001)

Nonlinear dynamics with polymers
Published: (2010)

Tối ưu hóa vị trí phủ truyền thông tin của mạng giám sát rầy nâu với các bẫy đèn tự động :
by: Đặng, Quang Huy
Published: (2016)

Mô phỏng sự lan truyền của rầy nâu dưới tác động từ hệ sinh thái với ô tô mát tế bào :
by: Lữ,Thanh Quy
Published: (2016)

Mô phỏng vị trí trồng cây ngập mặn với tiếp cận automát tế bào :
by: Đặng, Trung Tín
Published: (2016)

Tối ưu hóa vị trí đặt bẫy đèn rầy nâu bằng tiếp cận cellular automata với các yếu tố về khí hậu và địa lý :
by: Phan, Lâm Mỹ Ngà
Published: (2017)

Mô phỏng giám sát chất lượng nước của một ao nuôi thủy sản dựa trên ôtômát tế bào :
by: Nguyễn, Trần Tiến Dũng
Published: (2017)

Mô hình mô phỏng dự báo phát triển đô thị :
by: Trần, Nguyễn Minh Thư
Published: (2016)

Charge and Energy Transfer Dynamics in Molecular Systems
Published: (2012)

Molecular energetics
by: Simões, José A. Martinho
Published: (2008)

Ab initio Theory of Magnetic Ordering
by: Tapia, Eduardo Mendive
Published: (2020)

Mô phỏng sự lan truyền bệnh cá da trơn (cá tra)
by: Lê, Thị Diễm
Published: (2009)

Mô hình chuyển đổi dữ liệu giữa Gama và Digiplant mô phỏng sự phát triển của cây lúa dưới sự phá hoại của rầy nâu :
by: Huỳnh, Bá Mẫn
Published: (2013)

Molecular aggregation
by: Gavezzott, Angelo
Published: (2007)

Matlab và Simulink cho kỹ sư
by: Nguyễn, Quang Hoàng
Published: (2019)

Computational Fluid Dynamics for Engineers
by: Cebeci, Tuncer, et al.
Published: (2020)

Microsoft Flight Simulator 2004 :
by: Radcliffe, Doug
Published: (2003)

Tích hợp mô hình Oryza và ảnh Sentinel-1 trong ước đoán năng suất lúa tỉnh Vĩnh Long :
by: Phạm, Thanh Hoàng
Published: (2016)

Computer simulation of materials at atomic level
Published: (2000)

Ứng dụng ảnh viễn thám Modis xác định hiện trạng và lịch thời vụ canh tác lúa phục vụ công tác quản lý nông nghiệp ở tỉnh Đồng Tháp :
by: Nguyễn, Lương Thanh Trúc
Published: (2015)

Xây dựng ngân hàng thông tin giống lúa vùng Đồng bằng sông Cửu Long :
by: Lưu, Tiến Đạo
Published: (2017)

Ứng dụng tin học trong dạy học vật lý
by: Trần, Huy Hoàng
Published: (2012)

Methods In Molecular Biology, Vol. 13: Protocols In Molecular Neurobiology
by: Longstaff, Alan, et al.
Published: (2012)

Enhancement of sputtering yields due to C60 versus ga bombardment of ag&111; as explored by molecular dynamics simulations /

Classical and Quantum Molecular Dynamics in NMR Spectra
by: Szymański, Sławomir, et al.
Published: (2020)

Semiconductor device physics and simulation
by: Yuan, J. S.
Published: (1998)

Simulation modeling and analysis
by: Law, Averill M
Published: (2013)

A guide to simulation
by: Bratley, Paul
Published: (1987)

Multi-agent-based simulation VI :
Published: (2006)

Agent-based simulation :
Published: (2005)

Computational Methods for Fluid Dynamics
by: Ferziger, Joel H., et al.
Published: (2020)