Klaus Schulten

75 papers A 1B 5Journal 38Unranked 25

Year	Rank	Type	Title / Venue / Authors
2016	J	`jnl`	Atomic detail visualization of photosynthetic membranes with GPU-accelerated ray tracing. Parallel Comput. John E. Stone, Melih Sener, Kirby L. Vandivort, Angela M. Barragan, Abhishek Singharoy, Ivan Teo, João V. Ribeiro, Barry Isralewitz, Bo Liu, Boon Chong Goh, James C. Phillips, Craig MacGregor-Chatwin, Matthew P. Johnson, Lena F. Kourkoutis, C. Neil Hunter, Klaus Schulten
2016	—	`conf`	Early Experiences Porting the NAMD and VMD Molecular Simulation and Analysis Software to GPU-Accelerated OpenPOWER Platforms. ISC Workshops John E. Stone, Antti-Pekka Hynninen, James C. Phillips, Klaus Schulten
2016	—	`conf`	Evaluation of Emerging Energy-Efficient Heterogeneous Computing Platforms for Biomolecular and Cellular Simulation Workloads. IPDPS Workshops John E. Stone, Michael J. Hallock, James C. Phillips, Joseph R. Peterson, Zaida Luthey-Schulten, Klaus Schulten
2016	—	`conf`	High Performance Molecular Visualization: In-Situ and Parallel Rendering with EGL. IPDPS Workshops John E. Stone, Peter Messmer, Robert Sisneros, Klaus Schulten
2016	—	`conf`	Immersive Molecular Visualization with Omnidirectional Stereoscopic Ray Tracing and Remote Rendering. IPDPS Workshops John E. Stone, William R. Sherman, Klaus Schulten
2015	J	`jnl`	Structural Refinement of Proteins by Restrained Molecular Dynamics Simulations with Non-interacting Molecular Fragments. PLoS Comput. Biol. Rong Shen, Wei Han, Giacomo Fiorin, Shahidul M. Islam, Klaus Schulten, Benoît Roux
2014	J	`jnl`	Assembly of Nsp1 Nucleoporins Provides Insight into Nuclear Pore Complex Gating. PLoS Comput. Biol. Ramya Gamini, Wei Han, John E. Stone, Klaus Schulten
2014	J	`jnl`	CHARMM-GUI PACE CG Builder for Solution, Micelle, and Bilayer Coarse-Grained Simulations. J. Chem. Inf. Model. Yifei Qi, Xi Cheng, Wei Han, Sunhwan Jo, Klaus Schulten, Wonpil Im
2014	J	`jnl`	Generalized scalable multiple copy algorithms for molecular dynamics simulations in NAMD. Comput. Phys. Commun. Wei Jiang, James C. Phillips, Lei Huang, Mikolai Fajer, Yilin Meng, James C. Gumbart, Yun Luo, Klaus Schulten, Benoît Roux
2014	—	`conf`	Petascale Tcl with NAMD, VMD, and Swift/T. HPTCDL@SC James C. Phillips, John E. Stone, Kirby L. Vandivort, Timothy G. Armstrong, Justin M. Wozniak, Michael Wilde, Klaus Schulten
2013	—	`conf`	GPU-accelerated molecular visualization on petascale supercomputing platforms. UltraVis@SC John E. Stone, Kirby L. Vandivort, Klaus Schulten
2013	J	`jnl`	Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics. Nat. Gongpu Zhao, Juan R. Perilla, Ernest L. Yufenyuy, Xin Meng, Bo Chen, Jiying Ning, Jin-Woo Ahn, Angela M. Gronenborn, Klaus Schulten, Christopher Aiken, Peijun Zhang
2013	J	`jnl`	Membrane Sculpting by F-BAR Domains Studied by Molecular Dynamics Simulations. PLoS Comput. Biol. Hang Yu, Klaus Schulten
2013	J	`jnl`	Rapid parameterization of small molecules using the force field toolkit. J. Comput. Chem. Christopher G. Mayne, Jan Saam, Klaus Schulten, Emad Tajkhorshid, James C. Gumbart
2013	—	`ch.`	Scalable Molecular Dynamics with NAMD. Parallel Science and Engineering Applications James C. Phillips, Klaus Schulten, Abhinav Bhatele, Chao Mei, Yanhua Sun, Eric J. Bohm, Laxmikant V. Kalé
2012	—	`conf`	Fast Visualization of Gaussian Density Surfaces for Molecular Dynamics and Particle System Trajectories. EuroVis (Short Papers) Michael Krone, John E. Stone, Thomas Ertl, Klaus Schulten
2012	J	`jnl`	Molecular Basis of Drug Resistance in A/H1N1 Virus. J. Chem. Inf. Model. Ariela Vergara Jaque, Horacio Poblete, Eric H. Lee, Klaus Schulten, Fernando D. González Nilo, Christophe Chipot
2012	J	`jnl`	The p7 Protein of Hepatitis C Virus Forms Structurally Plastic, Minimalist Ion Channels. PLoS Comput. Biol. Danielle E. Chandler, François Penin, Klaus Schulten, Christophe Chipot
2011	—	`conf`	Immersive Out-of-Core Visualization of Large-Size and Long-Timescale Molecular Dynamics Trajectories. ISVC (2) John E. Stone, Kirby L. Vandivort, Klaus Schulten
2011	J	`jnl`	Molecular Dynamics Simulations of Forced Unbending of Integrin α PLoS Comput. Biol. Wei Chen, Jizhong Lou, Jen Hsin, Klaus Schulten, Stephen C. Harvey, Cheng Zhu
2011	J	`jnl`	Stereochemical errors and their implications to molecular dynamics simulations. BMC Bioinform. Eduard Schreiner, Leonardo G. Trabuco, P. L. Freddolino, Klaus Schulten
2010	—	`ch.`	GPU Algorithms for Molecular Modeling. Scientific Computing with Multicore and Accelerators John E. Stone, David J. Hardy, Barry Isralewitz, Klaus Schulten
2010	—	`conf`	Immersive Molecular Visualization and Interactive Modeling with Commodity Hardware. ISVC (2) John E. Stone, Axel Kohlmeyer, Kirby L. Vandivort, Klaus Schulten
2010	J	`jnl`	Molecular Dynamics Simulations Suggest that Electrostatic Funnel Directs Binding of Tamiflu to Influenza N1 Neuraminidases. PLoS Comput. Biol. Ly Le, Eric H. Lee, David J. Hardy, Thanh N. Truong, Klaus Schulten
2009	—	`conf`	High performance computation and interactive display of molecular orbitals on GPUs and multi-core CPUs. GPGPU John E. Stone, Jan Saam, David J. Hardy, Kirby L. Vandivort, Wen-mei W. Hwu, Klaus Schulten
2009	J	`jnl`	Multilevel summation of electrostatic potentials using graphics processing units. Parallel Comput. David J. Hardy, John E. Stone, Klaus Schulten
2009	J	`jnl`	Science and Engineering in the Petascale Era. Comput. Sci. Eng. Thom H. Dunning, Klaus Schulten, Jeroen Tromp, Jeremiah P. Ostriker, Kelvin Droegemeier, Ming Xue, Paul Fussell
2008	A	`conf`	Adapting a message-driven parallel application to GPU-accelerated clusters. SC James C. Phillips, John E. Stone, Klaus Schulten
2008	—	`conf`	GPU acceleration of cutoff pair potentials for molecular modeling applications. Conf. Computing Frontiers Christopher I. Rodrigues, David J. Hardy, John E. Stone, Klaus Schulten, Wen-mei W. Hwu
2007	J	`jnl`	Accelerating molecular modeling applications with graphics processors. J. Comput. Chem. John E. Stone, James C. Phillips, P. L. Freddolino, David J. Hardy, Leonardo G. Trabuco, Klaus Schulten
2005	J	`jnl`	Beyond the gene chip. Bell Labs Tech. J. Jiunn Benjamin Heng, Aleksei Aksimentiev, Chuen Ho, Valentin Dimitrov, Thomas W. Sorsch, John F. Miner, William M. Mansfield, Klaus Schulten, Gregory Timp
2005	J	`jnl`	Scalable molecular dynamics with NAMD. J. Comput. Chem. James C. Phillips, Rosemary Braun, Wei Wang, James C. Gumbart, Emad Tajkhorshid, Elizabeth Villa, Christophe Chipot, Robert D. Skeel, Laxmikant V. Kalé, Klaus Schulten
2004	J	`jnl`	Multiscale Method for Simulating Protein-DNA Complexes. Multiscale Model. Simul. Elizabeth Villa, Alexander Balaeff, L. Mahadevan, Klaus Schulten
2001	—	`conf`	A system for interactive molecular dynamics simulation. SI3D John E. Stone, Justin Gullingsrud, Klaus Schulten
2000	J	`jnl`	Speech/Gesture Interface to a Visual-Computing Environment. IEEE Computer Graphics and Applications Rajeev Sharma, Michael Zeller, Vladimir Pavlovic, Thomas S. Huang, Zion Lo, Stephen M. Chu, Yunxin Zhao, James C. Phillips, Klaus Schulten
2000	J	`jnl`	The fast multipole algorithm. Comput. Sci. Eng. John Board, Klaus Schulten
1999	—	`ch.`	Avoiding Algorithmic Obfuscation in a Message-Driven Parallel MD Code. Computational Molecular Dynamics James C. Phillips, Robert Brunner, Aritomo Shinozaki, Milind A. Bhandarkar, Neal Krawetz, Attila Gürsoy, Laxmikant V. Kalé, Robert D. Skeel, Klaus Schulten
1999	J	`jnl`	Evolution of Metabolisms: A New Method for the Comparison of Metabolic Pathways Using Genomics Information. J. Comput. Biol. Christian V. Forst, Klaus Schulten
1999	B	`conf`	Evolution of metabolisms: a new method for the comparison of metabolic pathways. RECOMB Christian V. Forst, Klaus Schulten
1999	—	`ch.`	Steered Molecular Dynamics. Computational Molecular Dynamics Sergei Izrailev, Sergey B. Stepaniants, Barry Isralewitz, Dorina Kosztin, Hui Lu, Ferenc Molnár, Willy Wriggers, Klaus Schulten
1997	—	`conf`	A Visual Computing Environment for Very Large Scale Biomolecular Modeling. ASAP Michael Zeller, James C. Phillips, Andrew Dalke, William Humphrey, Klaus Schulten, Thomas S. Huang, Vladimir Pavlovic, Yunxin Zhao, Zion Lo, Stephen M. Chu, Rajeev Sharma
1997	—	`conf`	Learning the perceptual control manifold for sensor-based robot path planning. CIRA Michael Zeller, Klaus Schulten, Rajeev Sharma
1996	J	`jnl`	A Numerical Study on Learning Curves in Stochastic Multilayer Feedforward Networks. Neural Comput. Klaus-Robert Müller, Michael Finke, Noboru Murata, Klaus Schulten, Shun-ichi Amari
1996	J	`jnl`	Analysis and control of a rubbertuator arm. Biol. Cybern. Patrick van der Smagt, Frans C. A. Groen, Klaus Schulten
1996	J	`jnl`	NAMD: a Parallel, Object-Oriented Molecular Dynamics Program. Int. J. High Perform. Comput. Appl. Mark T. Nelson, William Humphrey, Attila Gürsoy, Andrew Dalke, Laxmikant V. Kalé, Robert D. Skeel, Klaus Schulten
1996	J	`jnl`	Neuronal Oscillations and Stochastic Limit Cycles. Int. J. Neural Syst. Christian Kurrer, Klaus Schulten
1996	B	`conf`	Speech/gesture interface to a visual computing environment for molecular biologists. ICPR Rajeev Sharma, Thomas S. Huang, Vladimir I. Pavlovic, Yunxin Zhao, Zion Lo, Stephen M. Chu, Klaus Schulten
1995	—	`conf`	Knowledge based structure prediction of the light-harvesting complex II of Rhodospirillum molishianum. Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding Xiche Hu, Dong Xu, Kenneth Hamer, Klaus Schulten, Juergen Koepke, Hartmut Michel
1995	J	`jnl`	Models of orientation and ocular dominance columns in the visual cortex: a critical comparison. Neural Comput. E. Erwin, Klaus Obermayer, Klaus Schulten
1994	—	`conf`	A Critical Comparison of Models for Orientation and Ocular Dominance Columns in the Striate Cortex. NIPS E. Erwin, Klaus Obermayer, Klaus Schulten
1994	—	`conf`	Morphogenesis of the Lateral Geniculate Nucleus: How Singularities Affect Global Structure. NIPS Svilen Tzonev, Klaus Schulten, Joseph G. Malpeli
1994	J	`jnl`	Neural Network Control of a Pneumatic Robot Arm. IEEE Trans. Syst. Man Cybern. Syst. Ted Hesselroth, Kakali Sarkar, P. Patrick van der Smagt, Klaus Schulten
1994	J	`jnl`	Topology representing networks. Neural Networks Thomas Martinetz, Klaus Schulten
1993	J	`jnl`	'Neural-gas' network for vector quantization and its application to time-series prediction. IEEE Trans. Neural Networks Thomas Martinetz, Stanislav G. Berkovich, Klaus Schulten
1993	—	`conf`	A neural network with Hebbian-like adaptation rules learning visuomotor coordination of a PUMA robot. ICNN Thomas Martinetz, Klaus Schulten
1993	J	`jnl`	Erratum. Biol. Cybern. E. Erwin, Klaus Obermayer, Klaus Schulten
1993	J	`jnl`	Implementation of self-organizing neural networks for visuo-motor control of an industrial robot. IEEE Trans. Neural Networks Jörg A. Walter, Klaus Schulten
1992	—	`book`	Neural computation and self-organizing maps - an introduction. Helge J. Ritter, Thomas Martinetz, Klaus Schulten
1992	J	`jnl`	Self-organizing maps: ordering, convergence properties and energy functions. Biol. Cybern. E. Erwin, Klaus Obermayer, Klaus Schulten
1992	J	`jnl`	Self-organizing maps: stationary states, metastability and convergence rate. Biol. Cybern. E. Erwin, Klaus Obermayer, Klaus Schulten
1991	—	`conf`	A Comparison between a Neural Network Model for the Formation of Brain Maps and Experimental Data. NIPS Klaus Obermayer, Klaus Schulten, Gary G. Blasdel
1991	—	`conf`	Computational Biology on Massively Parallel Machines. ACPC Klaus Schulten
1991	—	`book`	Neuronale Netze - eine Einführung in die Neuroinformatik selbstorganisierter Netzwerke (2. Aufl.). Helge J. Ritter, Thomas Martinetz, Klaus Schulten
1991	—	`conf`	Vector Quantization Algorithm for Time Series Prediction and Visuo-Motor Control of Robots. Wissensbasierte Systeme Stan Berkovitch, Philippe Dalger, Ted Hesselroth, Thomas Martinetz, Benoît Noël, Jörg A. Walter, Klaus Schulten
1990	B	`conf`	A neural network model for the formation of topographic maps in the CNS: development of receptive fields. IJCNN Klaus Obermayer, Helge J. Ritter, Klaus Schulten
1990	—	`conf`	Development and Spatial Structure of Cortical Feature Maps: A Model Study. NIPS Klaus Obermayer, Helge J. Ritter, Klaus Schulten
1990	B	`conf`	Hierarchical neural net for learning control of a robot's arm and gripper. IJCNN Thomas Martinetz, Klaus Schulten
1990	J	`jnl`	Large-scale simulations of self-organizing neural networks on parallel computers: application to biological modelling. Parallel Comput. Klaus Obermayer, Helge J. Ritter, Klaus Schulten
1990	B	`conf`	Nonlinear prediction with self-organizing maps. IJCNN Jörg A. Walter, Helge J. Ritter, Klaus Schulten
1990	J	`jnl`	Three-dimensional neural net for learning visuomotor coordination of a robot arm. IEEE Trans. Neural Networks Thomas Martinetz, Helge J. Ritter, Klaus Schulten
1989	J	`jnl`	Topology-conserving maps for learning visuo-motor-coordination. Neural Networks Helge J. Ritter, Thomas Martinetz, Klaus Schulten
1988	—	`conf`	Invariant pattern recognition by means of fast synaptic plasticity. ICNN Joachim M. Buhmann, Klaus Schulten
1988	—	`conf`	Kohonen's self-organizing maps: exploring their computational capabilities. ICNN Helge J. Ritter, Klaus Schulten
1988	J	`jnl`	Topology-conserving maps for motor control. Neural Networks Helge J. Ritter, Klaus Schulten
1986	—	`conf`	Planning a Dynamic Trajectory via Path Finding in Discretized Phase Space. WOPPLOT Helge J. Ritter, Klaus Schulten