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ORCIDKlaus Schulten
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- affiliation: University of Illinois at Urbana-Champaign, IL, USA
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2010 – 2019
- 2016
[j38]John E. Stone
, Melih Sener, Kirby L. Vandivort, Angela 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:
Atomic detail visualization of photosynthetic membranes with GPU-accelerated ray tracing. Parallel Comput. 55: 17-27 (2016)- [c31]John E. Stone, Michael J. Hallock, James C. Phillips, Joseph R. Peterson, Zaida Luthey-Schulten, Klaus Schulten:
Evaluation of Emerging Energy-Efficient Heterogeneous Computing Platforms for Biomolecular and Cellular Simulation Workloads. IPDPS Workshops 2016: 89-100 - [c30]John E. Stone, Peter Messmer, Robert Sisneros, Klaus Schulten:
High Performance Molecular Visualization: In-Situ and Parallel Rendering with EGL. IPDPS Workshops 2016: 1014-1023 - [c29]John E. Stone, William R. Sherman, Klaus Schulten:
Immersive Molecular Visualization with Omnidirectional Stereoscopic Ray Tracing and Remote Rendering. IPDPS Workshops 2016: 1048-1057 - [c28]John E. Stone, Antti-Pekka Hynninen, James C. Phillips, Klaus Schulten:
Early Experiences Porting the NAMD and VMD Molecular Simulation and Analysis Software to GPU-Accelerated OpenPOWER Platforms. ISC Workshops 2016: 188-206 - 2015
- [j37]Rong Shen, Wei Han, Giacomo Fiorin, Shahidul M. Islam, Klaus Schulten, Benoît Roux:
Structural Refinement of Proteins by Restrained Molecular Dynamics Simulations with Non-interacting Molecular Fragments. PLoS Comput. Biol. 11(10) (2015) - 2014
- [j36]Wei Jiang, James C. Phillips, Lei Huang, Mikolai Fajer, Yilin Meng, James C. Gumbart, Yun Luo, Klaus Schulten, Benoît Roux:
Generalized scalable multiple copy algorithms for molecular dynamics simulations in NAMD. Comput. Phys. Commun. 185(3): 908-916 (2014) - [j35]Yifei Qi, Xi Cheng, Wei Han, Sunhwan Jo, Klaus Schulten, Wonpil Im:
CHARMM-GUI PACE CG Builder for Solution, Micelle, and Bilayer Coarse-Grained Simulations. J. Chem. Inf. Model. 54(3): 1003-1009 (2014) - [j34]Ramya Gamini, Wei Han, John E. Stone, Klaus Schulten:
Assembly of Nsp1 Nucleoporins Provides Insight into Nuclear Pore Complex Gating. PLoS Comput. Biol. 10(3) (2014) - [c27]James C. Phillips, John E. Stone, Kirby L. Vandivort, Timothy G. Armstrong, Justin M. Wozniak, Michael Wilde, Klaus Schulten:
Petascale Tcl with NAMD, VMD, and Swift/T. HPTCDL@SC 2014: 6-17 - 2013
- [j33]Christopher G. Mayne, Jan Saam, Klaus Schulten, Emad Tajkhorshid, James C. Gumbart:
Rapid parameterization of small molecules using the force field toolkit. J. Comput. Chem. 34(32): 2757-2770 (2013) - [j32]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:
Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics. Nat. 497(7451): 643-646 (2013) - [j31]Hang Yu, Klaus Schulten:
Membrane Sculpting by F-BAR Domains Studied by Molecular Dynamics Simulations. PLoS Comput. Biol. 9(1) (2013) - [c26]John E. Stone, Kirby L. Vandivort, Klaus Schulten:
GPU-accelerated molecular visualization on petascale supercomputing platforms. UltraVis@SC 2013: 6:1-6:8 - [p4]James C. Phillips, Klaus Schulten, Abhinav Bhatele, Chao Mei, Yanhua Sun, Eric J. Bohm, Laxmikant V. Kalé:
Scalable Molecular Dynamics with NAMD. Parallel Science and Engineering Applications 2013: 61-78 - 2012
- [j30]Ariela Vergara Jaque, Horacio Poblete, Eric H. Lee, Klaus Schulten, Fernando D. González Nilo, Christophe Chipot:
Molecular Basis of Drug Resistance in A/H1N1 Virus. J. Chem. Inf. Model. 52(10): 2650-2656 (2012) - [j29]Danielle E. Chandler, François Penin, Klaus Schulten, Christophe Chipot:
The p7 Protein of Hepatitis C Virus Forms Structurally Plastic, Minimalist Ion Channels. PLoS Comput. Biol. 8(9) (2012) - [c25]Michael Krone, John E. Stone, Thomas Ertl, Klaus Schulten:
Fast Visualization of Gaussian Density Surfaces for Molecular Dynamics and Particle System Trajectories. EuroVis (Short Papers) 2012 - 2011
- [j28]Eduard Schreiner, Leonardo G. Trabuco, Peter L. Freddolino, Klaus Schulten:
Stereochemical errors and their implications to molecular dynamics simulations. BMC Bioinform. 12: 190 (2011) - [j27]Wei Chen, Jizhong Lou, Jen Hsin, Klaus Schulten, Stephen C. Harvey, Cheng Zhu:
Molecular Dynamics Simulations of Forced Unbending of Integrin αVβ3. PLoS Comput. Biol. 7(2) (2011) - [c24]John E. Stone, Kirby L. Vandivort, Klaus Schulten:
Immersive Out-of-Core Visualization of Large-Size and Long-Timescale Molecular Dynamics Trajectories. ISVC (2) 2011: 1-12 - 2010
- [j26]Ly Le, Eric H. Lee, David J. Hardy, Thanh N. Truong, Klaus Schulten:
Molecular Dynamics Simulations Suggest that Electrostatic Funnel Directs Binding of Tamiflu to Influenza N1 Neuraminidases. PLoS Comput. Biol. 6(9) (2010) - [c23]John E. Stone, Axel Kohlmeyer, Kirby L. Vandivort, Klaus Schulten:
Immersive Molecular Visualization and Interactive Modeling with Commodity Hardware. ISVC (2) 2010: 382-393 - [p3]John E. Stone, David J. Hardy, Barry Isralewitz, Klaus Schulten:
GPU Algorithms for Molecular Modeling. Scientific Computing with Multicore and Accelerators 2010: 351-371
2000 – 2009
- 2009
- [j25]Thom H. Dunning, Klaus Schulten, Jeroen Tromp, Jeremiah P. Ostriker, Kelvin Droegemeier, Ming Xue, Paul Fussell:
Science and Engineering in the Petascale Era. Comput. Sci. Eng. 11(5): 28-37 (2009) - [j24]David J. Hardy, John E. Stone, Klaus Schulten:
Multilevel summation of electrostatic potentials using graphics processing units. Parallel Comput. 35(3): 164-177 (2009) - [c22]John E. Stone, Jan Saam, David J. Hardy, Kirby L. Vandivort, Wen-mei W. Hwu, Klaus Schulten:
High performance computation and interactive display of molecular orbitals on GPUs and multi-core CPUs. GPGPU 2009: 9-18 - 2008
- [c21]Christopher I. Rodrigues, David J. Hardy, John E. Stone, Klaus Schulten, Wen-mei W. Hwu:
GPU acceleration of cutoff pair potentials for molecular modeling applications. Conf. Computing Frontiers 2008: 273-282 - [c20]James C. Phillips, John E. Stone, Klaus Schulten:
Adapting a message-driven parallel application to GPU-accelerated clusters. SC 2008: 8 - 2007
- [j23]John E. Stone, James C. Phillips, Peter L. Freddolino, David J. Hardy, Leonardo G. Trabuco, Klaus Schulten:
Accelerating molecular modeling applications with graphics processors. J. Comput. Chem. 28(16): 2618-2640 (2007) - 2005
- [j22]Jiunn Benjamin Heng, Aleksei Aksimentiev, Chuen Ho, Valentin Dimitrov, Thomas W. Sorsch, John F. Miner, William M. Mansfield, Klaus Schulten, Gregory Timp:
Beyond the gene chip. Bell Labs Tech. J. 10(3): 5-22 (2005) - [j21]James C. Phillips, Rosemary Braun, Wei Wang, James C. Gumbart, Emad Tajkhorshid, Elizabeth Villa, Christophe Chipot, Robert D. Skeel, Laxmikant V. Kalé, Klaus Schulten:
Scalable molecular dynamics with NAMD. J. Comput. Chem. 26(16): 1781-1802 (2005) - 2004
- [j20]Elizabeth Villa, Alexander Balaeff, L. Mahadevan, Klaus Schulten:
Multiscale Method for Simulating Protein-DNA Complexes. Multiscale Model. Simul. 2(4): 527-553 (2004) - 2001
- [c19]John E. Stone, Justin Gullingsrud, Klaus Schulten:
A system for interactive molecular dynamics simulation. SI3D 2001: 191-194 - 2000
- [j19]Rajeev Sharma, Michael Zeller, Vladimir Pavlovic, Thomas S. Huang, Zion Lo, Stephen M. Chu, Yunxin Zhao, James C. Phillips, Klaus Schulten:
Speech/Gesture Interface to a Visual-Computing Environment. IEEE Computer Graphics and Applications 20(2): 29-37 (2000) - [j18]John Board, Klaus Schulten:
The fast multipole algorithm. Comput. Sci. Eng. 2(1): 76-79 (2000)
1990 – 1999
- 1999
- [j17]Christian V. Forst, Klaus Schulten:
Evolution of Metabolisms: A New Method for the Comparison of Metabolic Pathways Using Genomics Information. J. Comput. Biol. 6(3/4): 343-360 (1999) - [c18]Christian V. Forst, Klaus Schulten:
Evolution of metabolisms: a new method for the comparison of metabolic pathways. RECOMB 1999: 174-181 - [p2]Sergei Izrailev, Sergey B. Stepaniants, Barry Isralewitz, Dorina Kosztin, Hui Lu, Ferenc Molnár, Willy Wriggers, Klaus Schulten:
Steered Molecular Dynamics. Computational Molecular Dynamics 1999: 39-65 - [p1]James C. Phillips, Robert Brunner, Aritomo Shinozaki, Milind A. Bhandarkar, Neal Krawetz, Attila Gürsoy, Laxmikant V. Kalé, Robert D. Skeel, Klaus Schulten:
Avoiding Algorithmic Obfuscation in a Message-Driven Parallel MD Code. Computational Molecular Dynamics 1999: 472-482 - 1997
- [c17]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:
A Visual Computing Environment for Very Large Scale Biomolecular Modeling. ASAP 1997: 3- - [c16]Michael Zeller, Klaus Schulten, Rajeev Sharma:
Learning the perceptual control manifold for sensor-based robot path planning. CIRA 1997: 48-53 - 1996
- [j16]Patrick van der Smagt, Frans C. A. Groen, Klaus Schulten:
Analysis and control of a rubbertuator arm. Biol. Cybern. 75(5): 433-440 (1996) - [j15]Mark T. Nelson, William Humphrey, Attila Gürsoy, Andrew Dalke, Laxmikant V. Kalé, Robert D. Skeel, Klaus Schulten:
NAMD: a Parallel, Object-Oriented Molecular Dynamics Program. Int. J. High Perform. Comput. Appl. 10(4): 251-268 (1996) - [j14]Christian Kurrer, Klaus Schulten:
Neuronal Oscillations and Stochastic Limit Cycles. Int. J. Neural Syst. 7(4): 399-402 (1996) - [j13]Klaus-Robert Müller, Michael Finke, Noboru Murata, Klaus Schulten, Shun-ichi Amari:
A Numerical Study on Learning Curves in Stochastic Multilayer Feedforward Networks. Neural Comput. 8(5): 1085-1106 (1996) - [c15]Rajeev Sharma, Thomas S. Huang, Vladimir I. Pavlovic, Yunxin Zhao, Zion Lo, Stephen M. Chu, Klaus Schulten:
Speech/gesture interface to a visual computing environment for molecular biologists. ICPR 1996: 964-968 - 1995
- [j12]E. Erwin, Klaus Obermayer, Klaus Schulten:
Models of orientation and ocular dominance columns in the visual cortex: a critical comparison. Neural Comput. 7(3): 425-468 (1995) - [c14]Xiche Hu, Dong Xu, Kenneth Hamer, Klaus Schulten, Juergen Koepke, Hartmut Michel:
Knowledge based structure prediction of the light-harvesting complex II of Rhodospirillum molishianum. Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding 1995: 97-122 - 1994
- [j11]Thomas Martinetz, Klaus Schulten:
Topology representing networks. Neural Networks 7(3): 507-522 (1994) - [j10]Ted Hesselroth, Kakali Sarkar, P. Patrick van der Smagt, Klaus Schulten:
Neural Network Control of a Pneumatic Robot Arm. IEEE Trans. Syst. Man Cybern. Syst. 24(1): 28-38 (1994) - [c13]E. Erwin, Klaus Obermayer, Klaus Schulten:
A Critical Comparison of Models for Orientation and Ocular Dominance Columns in the Striate Cortex. NIPS 1994: 93-100 - [c12]Svilen Tzonev, Klaus Schulten, Joseph G. Malpeli:
Morphogenesis of the Lateral Geniculate Nucleus: How Singularities Affect Global Structure. NIPS 1994: 133-140 - 1993
- [j9]E. Erwin, Klaus Obermayer, Klaus Schulten:
Erratum. Biol. Cybern. 68(3): 285 (1993) - [j8]Jörg A. Walter, Klaus Schulten:
Implementation of self-organizing neural networks for visuo-motor control of an industrial robot. IEEE Trans. Neural Networks 4(1): 86-96 (1993) - [j7]Thomas Martinetz, Stanislav G. Berkovich, Klaus Schulten:
'Neural-gas' network for vector quantization and its application to time-series prediction. IEEE Trans. Neural Networks 4(4): 558-569 (1993) - [c11]Thomas Martinetz, Klaus Schulten:
A neural network with Hebbian-like adaptation rules learning visuomotor coordination of a PUMA robot. ICNN 1993: 820-822 - 1992
- [b2]Helge J. Ritter, Thomas Martinetz, Klaus Schulten:
Neural computation and self-organizing maps - an introduction. Computation and neural systems series, Addison-Wesley 1992, ISBN 978-0-201-55443-4, pp. 1-306 - [j6]E. Erwin, Klaus Obermayer, Klaus Schulten:
Self-organizing maps: stationary states, metastability and convergence rate. Biol. Cybern. 67(1): 35-45 (1992) - [j5]E. Erwin, Klaus Obermayer, Klaus Schulten:
Self-organizing maps: ordering, convergence properties and energy functions. Biol. Cybern. 67(1): 47-55 (1992) - 1991
- [b1]Helge J. Ritter, Thomas Martinetz, Klaus Schulten:
Neuronale Netze - eine Einführung in die Neuroinformatik selbstorganisierter Netzwerke (2. Aufl.). Reihe Künstliche Intelligenz, Addison-Wesley 1991, ISBN 978-3-89319-131-4, pp. 1-325 - [c10]Klaus Schulten:
Computational Biology on Massively Parallel Machines. ACPC 1991: 391-400 - [c9]Klaus Obermayer, Klaus Schulten, Gary G. Blasdel:
A Comparison between a Neural Network Model for the Formation of Brain Maps and Experimental Data. NIPS 1991: 83-90 - [c8]Stan Berkovitch, Philippe Dalger, Ted Hesselroth, Thomas Martinetz, Benoît Noël, Jörg A. Walter, Klaus Schulten:
Vector Quantization Algorithm for Time Series Prediction and Visuo-Motor Control of Robots. Wissensbasierte Systeme 1991: 443-447 - 1990
- [j4]Klaus Obermayer, Helge J. Ritter, Klaus Schulten:
Large-scale simulations of self-organizing neural networks on parallel computers: application to biological modelling. Parallel Comput. 14(3): 381-404 (1990) - [j3]Thomas Martinetz, Helge J. Ritter, Klaus Schulten:
Three-dimensional neural net for learning visuomotor coordination of a robot arm. IEEE Trans. Neural Networks 1(1): 131-136 (1990) - [c7]Klaus Obermayer, Helge J. Ritter, Klaus Schulten:
A neural network model for the formation of topographic maps in the CNS: development of receptive fields. IJCNN 1990: 423-429 - [c6]Jörg A. Walter, Helge J. Ritter, Klaus Schulten:
Nonlinear prediction with self-organizing maps. IJCNN 1990: 589-594 - [c5]Thomas Martinetz, Klaus Schulten:
Hierarchical neural net for learning control of a robot's arm and gripper. IJCNN 1990: 747-752 - [c4]Klaus Obermayer, Helge J. Ritter, Klaus Schulten:
Development and Spatial Structure of Cortical Feature Maps: A Model Study. NIPS 1990: 11-17
1980 – 1989
- 1989
- [j2]Helge J. Ritter, Thomas Martinetz, Klaus Schulten:
Topology-conserving maps for learning visuo-motor-coordination. Neural Networks 2(3): 159-168 (1989) - 1988
- [j1]Helge J. Ritter, Klaus Schulten:
Topology-conserving maps for motor control. Neural Networks 1(Supplement-1): 357 (1988) - [c3]Helge J. Ritter, Klaus Schulten:
Kohonen's self-organizing maps: exploring their computational capabilities. ICNN 1988: 109-116 - [c2]Joachim M. Buhmann, Klaus Schulten:
Invariant pattern recognition by means of fast synaptic plasticity. ICNN 1988: 125-132 - 1986
- [c1]Helge J. Ritter, Klaus Schulten:
Planning a Dynamic Trajectory via Path Finding in Discretized Phase Space. WOPPLOT 1986: 29-39
Coauthor Index
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